2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine

C14H31N3 — CID 79312780

IUPAC2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)CC1CCCN1C
InChIInChI=1S/C14H31N3/c1-12(2)9-15-10-13(3)17(5)11-14-7-6-8-16(14)4/h12-15H,6-11H2,1-5H3
InChIKeyLMSYQIGESTYIHH-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine

2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine (PubChem CID 79312780) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
PubChem CID79312780
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)CC1CCCN1C
InChIInChI=1S/C14H31N3/c1-12(2)9-15-10-13(3)17(5)11-14-7-6-8-16(14)4/h12-15H,6-11H2,1-5H3
InChIKeyLMSYQIGESTYIHH-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 79313498
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine
CID 79312802
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79312950
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 79317831
2-methyl-N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79311221
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226895
3-amino-4-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 114357451
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 59904541

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine (CID 79312780) is 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine is CC(C)CNCC(C)N(C)CC1CCCN1C.
What is the InChIKey of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine?
The InChIKey is LMSYQIGESTYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-12(2)9-15-10-13(3)17(5)11-14-7-6-8-16(14)4/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine?
2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 79312780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).