N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine

C17H30N2 — CID 62417159

IUPACN-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
SMILESCCC(C)N(C)C(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-15(4)19(5)17(13-18-12-14(2)3)16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3
InChIKeyJBDORSMNCWKVEZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.70
Rot. Bonds8

About N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine

N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine (PubChem CID 62417159) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
PubChem CID62417159
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
SMILESCCC(C)N(C)C(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-15(4)19(5)17(13-18-12-14(2)3)16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3
InChIKeyJBDORSMNCWKVEZ-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-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

N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
3-(2-methylpropylamino)-1,1-diphenylpropan-2-ol
CID 107292960
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine (CID 62417159) is N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine is CCC(C)N(C)C(CNCC(C)C)c1ccccc1.
What is the InChIKey of N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
The InChIKey is JBDORSMNCWKVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-15(4)19(5)17(13-18-12-14(2)3)16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3.
What are the key properties of N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine?
N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62417159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).