N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine

C39H97N13O2 — CID 158366119

IUPACN',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine
SMILESCCN(CC)CCN.CN(C)CCN.CN1CCCC1CCN.COCCN.NCCN1CCCC1.NCCN1CCCCC1.NCCN1CCOCC1
InChIInChI=1S/2C7H16N2.C6H14N2O.C6H14N2.C6H16N2.C4H12N2.C3H9NO/c1-9-6-2-3-7(9)4-5-8;8-4-7-9-5-2-1-3-6-9;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;1-6(2)4-3-5;1-5-3-2-4/h7H,2-6,8H2,1H3;1-8H2;1-7H2;1-7H2;3-7H2,1-2H3;3-5H2,1-2H3;2-4H2,1H3
InChIKeyGUAZDSVLVYKMTM-UHFFFAOYSA-N
MW780.29 g/mol
LogP-0.44
Rot. Bonds16

About N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine

N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine (PubChem CID 158366119) has the molecular formula C39H97N13O2 and a molecular weight of 780.29 g/mol. Its IUPAC name is N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine
PubChem CID158366119
Molecular FormulaC39H97N13O2
Molecular Weight780.29 g/mol
Exact Mass779.79
IUPAC NameN',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine
SMILESCCN(CC)CCN.CN(C)CCN.CN1CCCC1CCN.COCCN.NCCN1CCCC1.NCCN1CCCCC1.NCCN1CCOCC1
InChIInChI=1S/2C7H16N2.C6H14N2O.C6H14N2.C6H16N2.C4H12N2.C3H9NO/c1-9-6-2-3-7(9)4-5-8;8-4-7-9-5-2-1-3-6-9;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;1-6(2)4-3-5;1-5-3-2-4/h7H,2-6,8H2,1H3;1-8H2;1-7H2;1-7H2;3-7H2,1-2H3;3-5H2,1-2H3;2-4H2,1H3
InChIKeyGUAZDSVLVYKMTM-UHFFFAOYSA-N
XLogP-0.44
TPSA220.04 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500780.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine?
The IUPAC name of N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine (CID 158366119) is N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine is CCN(CC)CCN.CN(C)CCN.CN1CCCC1CCN.COCCN.NCCN1CCCC1.NCCN1CCCCC1.NCCN1CCOCC1.
What is the InChIKey of N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine?
The InChIKey is GUAZDSVLVYKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2.C6H14N2O.C6H14N2.C6H16N2.C4H12N2.C3H9NO/c1-9-6-2-3-7(9)4-5-8;8-4-7-9-5-2-1-3-6-9;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;1-6(2)4-3-5;1-5-3-2-4/h7H,2-6,8H2,1H3;1-8H2;1-7H2;1-7H2;3-7H2,1-2H3;3-5H2,1-2H3;2-4H2,1H3.
What are the key properties of N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine?
N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine has a molecular weight of 780.29 g/mol, XLogP of -0.44, 16 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-methoxyethanamine;2-(1-methylpyrrolidin-2-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine;2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 158366119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).