2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine

C15H33N3 — CID 79312802

IUPAC2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)NCC(C)N(C)CC1CCCN1C
InChIInChI=1S/C15H33N3/c1-6-8-13(2)16-11-14(3)18(5)12-15-9-7-10-17(15)4/h13-16H,6-12H2,1-5H3
InChIKeySMPVZSPJTUHVNB-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds8

About 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine

2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine (PubChem CID 79312802) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine
PubChem CID79312802
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)NCC(C)N(C)CC1CCCN1C
InChIInChI=1S/C15H33N3/c1-6-8-13(2)16-11-14(3)18(5)12-15-9-7-10-17(15)4/h13-16H,6-12H2,1-5H3
InChIKeySMPVZSPJTUHVNB-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-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-1-N-(2-methylpropyl)-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79312780
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
2-N-methyl-1-N-pentan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 55163822
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanehydrazide
CID 79317659
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79312950
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
CID 79315558
2-(cyclopropylamino)-2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-1-ol
CID 79317831
2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 79314860
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
2-(butan-2-ylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314481
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054894

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine (CID 79312802) is 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine is CCCC(C)NCC(C)N(C)CC1CCCN1C.
What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine?
The InChIKey is SMPVZSPJTUHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-8-13(2)16-11-14(3)18(5)12-15-9-7-10-17(15)4/h13-16H,6-12H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine?
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-pentan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 79312802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).