N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol

C69H161N21O7 — CID 162028208

IUPACN',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol
SMILESC1CNCCN1.CCN(CC)CCN.CN1CCN(CCCN)CC1.CN1CCNCC1.CNCCN1CCOCC1.NCCCCN1CCOCC1.NCCCN1CCOCC1.NCCN1CCCC1.NCCN1CCOCC1.OCCN1CCCC1.OCCN1CCOCC1
InChIInChI=1S/C8H19N3.C8H18N2O.2C7H16N2O.C6H14N2O.C6H14N2.C6H16N2.C6H13NO2.C6H13NO.C5H12N2.C4H10N2/c1-10-5-7-11(8-6-10)4-2-3-9;9-3-1-2-4-10-5-7-11-8-6-10;1-8-2-3-9-4-6-10-7-5-9;8-2-1-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8;7-3-6-8-4-1-2-5-8;1-3-8(4-2)6-5-7;8-4-1-7-2-5-9-6-3-7;8-6-5-7-3-1-2-4-7;1-7-4-2-6-3-5-7;1-2-6-4-3-5-1/h2-9H2,1H3;1-9H2;8H,2-7H2,1H3;1-8H2;1-7H2;1-7H2;3-7H2,1-2H3;8H,1-6H2;8H,1-6H2;6H,2-5H2,1H3;5-6H,1-4H2
InChIKeyYVQZJQMEVSFEFI-UHFFFAOYSA-N
MW1397.19 g/mol
LogP-3.46
Rot. Bonds25

About N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol

N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol (PubChem CID 162028208) has the molecular formula C69H161N21O7 and a molecular weight of 1397.19 g/mol. Its IUPAC name is N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound NameN',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol
PubChem CID162028208
Molecular FormulaC69H161N21O7
Molecular Weight1397.19 g/mol
Exact Mass1396.29
IUPAC NameN',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol
SMILESC1CNCCN1.CCN(CC)CCN.CN1CCN(CCCN)CC1.CN1CCNCC1.CNCCN1CCOCC1.NCCCCN1CCOCC1.NCCCN1CCOCC1.NCCN1CCCC1.NCCN1CCOCC1.OCCN1CCCC1.OCCN1CCOCC1
InChIInChI=1S/C8H19N3.C8H18N2O.2C7H16N2O.C6H14N2O.C6H14N2.C6H16N2.C6H13NO2.C6H13NO.C5H12N2.C4H10N2/c1-10-5-7-11(8-6-10)4-2-3-9;9-3-1-2-4-10-5-7-11-8-6-10;1-8-2-3-9-4-6-10-7-5-9;8-2-1-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8;7-3-6-8-4-1-2-5-8;1-3-8(4-2)6-5-7;8-4-1-7-2-5-9-6-3-7;8-6-5-7-3-1-2-4-7;1-7-4-2-6-3-5-7;1-2-6-4-3-5-1/h2-9H2,1H3;1-9H2;8H,2-7H2,1H3;1-8H2;1-7H2;1-7H2;3-7H2,1-2H3;8H,1-6H2;8H,1-6H2;6H,2-5H2,1H3;5-6H,1-4H2
InChIKeyYVQZJQMEVSFEFI-UHFFFAOYSA-N
XLogP-3.46
TPSA326.49 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001397.19
LogP ≤ 5-3.46
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol?
The IUPAC name of N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol (CID 162028208) is N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol.
What is the SMILES notation for N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol?
The canonical SMILES for N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol is C1CNCCN1.CCN(CC)CCN.CN1CCN(CCCN)CC1.CN1CCNCC1.CNCCN1CCOCC1.NCCCCN1CCOCC1.NCCCN1CCOCC1.NCCN1CCCC1.NCCN1CCOCC1.OCCN1CCCC1.OCCN1CCOCC1.
What is the InChIKey of N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol?
The InChIKey is YVQZJQMEVSFEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.C8H18N2O.2C7H16N2O.C6H14N2O.C6H14N2.C6H16N2.C6H13NO2.C6H13NO.C5H12N2.C4H10N2/c1-10-5-7-11(8-6-10)4-2-3-9;9-3-1-2-4-10-5-7-11-8-6-10;1-8-2-3-9-4-6-10-7-5-9;8-2-1-3-9-4-6-10-7-5-9;7-1-2-8-3-5-9-6-4-8;7-3-6-8-4-1-2-5-8;1-3-8(4-2)6-5-7;8-4-1-7-2-5-9-6-3-7;8-6-5-7-3-1-2-4-7;1-7-4-2-6-3-5-7;1-2-6-4-3-5-1/h2-9H2,1H3;1-9H2;8H,2-7H2,1H3;1-8H2;1-7H2;1-7H2;3-7H2,1-2H3;8H,1-6H2;8H,1-6H2;6H,2-5H2,1H3;5-6H,1-4H2.
What are the key properties of N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol?
N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol has a molecular weight of 1397.19 g/mol, XLogP of -3.46, 25 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylethane-1,2-diamine;N-methyl-2-morpholin-4-ylethanamine;1-methylpiperazine;3-(4-methylpiperazin-1-yl)propan-1-amine;4-morpholin-4-ylbutan-1-amine;2-morpholin-4-ylethanamine;2-morpholin-4-ylethanol;3-morpholin-4-ylpropan-1-amine;piperazine;2-pyrrolidin-1-ylethanamine;2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 162028208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).