2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine

C17H30N2 — CID 43295709

IUPAC2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
SMILESCCC(C)CN(C)C(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-14(4)12-19(5)17(13(2)3)16(18)15-10-8-7-9-11-15/h7-11,13-14,16-17H,6,12,18H2,1-5H3
InChIKeyHHPNVVXYTRNDPG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.69
Rot. Bonds7

About 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine

2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine (PubChem CID 43295709) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
PubChem CID43295709
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
SMILESCCC(C)CN(C)C(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-14(4)12-19(5)17(13(2)3)16(18)15-10-8-7-9-11-15/h7-11,13-14,16-17H,6,12,18H2,1-5H3
InChIKeyHHPNVVXYTRNDPG-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-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-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 43274486
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
CID 62779626
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 63954327
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
CID 76949179
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43211372
N'-methyl-N'-(2-methylpropyl)-1,2-diphenylethane-1,2-diamine
CID 43272040
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine (CID 43295709) is 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine is CCC(C)CN(C)C(C(C)C)C(N)c1ccccc1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine?
The InChIKey is HHPNVVXYTRNDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14(4)12-19(5)17(13(2)3)16(18)15-10-8-7-9-11-15/h7-11,13-14,16-17H,6,12,18H2,1-5H3.
What are the key properties of 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine?
2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 43295709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).