ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

C13H33N3 — CID 143417391

IUPACethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCC.CC.CNCCCN1CCN(C)CC1
InChIInChI=1S/C9H21N3.2C2H6/c1-10-4-3-5-12-8-6-11(2)7-9-12;2*1-2/h10H,3-9H2,1-2H3;2*1-2H3
InChIKeySRYNXLHBCLGEDT-UHFFFAOYSA-N
MW231.43 g/mol
LogP1.90
Rot. Bonds4

About ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 143417391) has the molecular formula C13H33N3 and a molecular weight of 231.43 g/mol. Its IUPAC name is ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID143417391
Molecular FormulaC13H33N3
Molecular Weight231.43 g/mol
Exact Mass231.27
IUPAC Nameethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCC.CC.CNCCCN1CCN(C)CC1
InChIInChI=1S/C9H21N3.2C2H6/c1-10-4-3-5-12-8-6-11(2)7-9-12;2*1-2/h10H,3-9H2,1-2H3;2*1-2H3
InChIKeySRYNXLHBCLGEDT-UHFFFAOYSA-N
XLogP1.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 165403738
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
N,1-dimethylpyrrolidin-3-amine;N-methyl-2-(4-methylpiperazin-1-yl)ethanamine;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 162222118
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 12761702

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 143417391) is ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is CC.CC.CNCCCN1CCN(C)CC1.
What is the InChIKey of ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is SRYNXLHBCLGEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3.2C2H6/c1-10-4-3-5-12-8-6-11(2)7-9-12;2*1-2/h10H,3-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 231.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 143417391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).