2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine

C13H31N3 — CID 114524991

IUPAC2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCCN(C)C)C(C)(CC)CN
InChIInChI=1S/C13H31N3/c1-6-9-16(11-8-10-15(4)5)13(3,7-2)12-14/h6-12,14H2,1-5H3
InChIKeyXHSGUPPUQMCLAV-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.78
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine (PubChem CID 114524991) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
PubChem CID114524991
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCCN(C)C)C(C)(CC)CN
InChIInChI=1S/C13H31N3/c1-6-9-16(11-8-10-15(4)5)13(3,7-2)12-14/h6-12,14H2,1-5H3
InChIKeyXHSGUPPUQMCLAV-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-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-(3-methoxypropyl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62007992
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
CID 79360585
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-methylbutanamide
CID 63891389
2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
CID 114333063
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
N'-(2-methylundecan-2-yl)-N'-propylpropane-1,3-diamine
CID 162197438
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine (CID 114524991) is 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine is CCCN(CCCN(C)C)C(C)(CC)CN.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine?
The InChIKey is XHSGUPPUQMCLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-9-16(11-8-10-15(4)5)13(3,7-2)12-14/h6-12,14H2,1-5H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 114524991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).