1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine

C19H34N2 — CID 66453458

IUPAC1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine
SMILESCCCCN(CC(C)(C)C(C)NCCC)c1ccccc1
InChIInChI=1S/C19H34N2/c1-6-8-15-21(18-12-10-9-11-13-18)16-19(4,5)17(3)20-14-7-2/h9-13,17,20H,6-8,14-16H2,1-5H3
InChIKeyUGOXYFYLHVTTGV-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.71
Rot. Bonds10

About 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine

1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine (PubChem CID 66453458) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine
PubChem CID66453458
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine
SMILESCCCCN(CC(C)(C)C(C)NCCC)c1ccccc1
InChIInChI=1S/C19H34N2/c1-6-8-15-21(18-12-10-9-11-13-18)16-19(4,5)17(3)20-14-7-2/h9-13,17,20H,6-8,14-16H2,1-5H3
InChIKeyUGOXYFYLHVTTGV-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-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

1-N-butyl-2-N,2-dimethyl-1-N-phenylpropane-1,2-diamine
CID 64586766
1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
CID 64585190
N-butyl-N',2,2-trimethyl-N-phenylpropane-1,3-diamine
CID 64586402
3-(N-butylanilino)-2,2-dimethylpropanal
CID 64584464
3-(N-butylanilino)-2-methyl-2-(methylamino)propan-1-ol
CID 64810426
N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine
CID 64586415
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630
1-N-butyl-1-N-cyclopropyl-2,2-dimethyl-3-N-propylbutane-1,3-diamine
CID 66453635
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66454727
2-amino-3-(N-butylanilino)-2-methylpropanamide
CID 64585233

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine (CID 66453458) is 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine is CCCCN(CC(C)(C)C(C)NCCC)c1ccccc1.
What is the InChIKey of 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine?
The InChIKey is UGOXYFYLHVTTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-8-15-21(18-12-10-9-11-13-18)16-19(4,5)17(3)20-14-7-2/h9-13,17,20H,6-8,14-16H2,1-5H3.
What are the key properties of 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine?
1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2,2-dimethyl-1-N-phenyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 66453458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).