N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine

C19H34N2 — CID 63483776

IUPACN-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)Cc1ccccc1
InChIInChI=1S/C19H34N2/c1-6-12-19(4,15-20-13-17(2)3)16-21(5)14-18-10-8-7-9-11-18/h7-11,17,20H,6,12-16H2,1-5H3
InChIKeyJHANVCSWPHVWHW-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.17
Rot. Bonds10

About N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine

N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine (PubChem CID 63483776) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
PubChem CID63483776
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC(C)C)CN(C)Cc1ccccc1
InChIInChI=1S/C19H34N2/c1-6-12-19(4,15-20-13-17(2)3)16-21(5)14-18-10-8-7-9-11-18/h7-11,17,20H,6,12-16H2,1-5H3
InChIKeyJHANVCSWPHVWHW-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-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

N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63482890
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171
N-[3-(dimethylamino)propyl]-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63699320
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 81075032
N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63493774

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine (CID 63483776) is N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC(C)C)CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
The InChIKey is JHANVCSWPHVWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-12-19(4,15-20-13-17(2)3)16-21(5)14-18-10-8-7-9-11-18/h7-11,17,20H,6,12-16H2,1-5H3.
What are the key properties of N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine?
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63483776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).