2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine

C17H30N2 — CID 55004777

IUPAC2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
SMILESCCCCN(C(C)CC)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-7-13-19(14(3)6-2)15(4)17(18)16-11-9-8-10-12-16/h8-12,14-15,17H,5-7,13,18H2,1-4H3
InChIKeyWRRKBWOIAHVQBA-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.98
Rot. Bonds8

About 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine

2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine (PubChem CID 55004777) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
PubChem CID55004777
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
SMILESCCCCN(C(C)CC)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-7-13-19(14(3)6-2)15(4)17(18)16-11-9-8-10-12-16/h8-12,14-15,17H,5-7,13,18H2,1-4H3
InChIKeyWRRKBWOIAHVQBA-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-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-butyl-1-(4-fluorophenyl)propane-1,2-diamine
CID 107520436
2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 43274486
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
N'-[amino(phenyl)methyl]-N'-butylethane-1,2-diamine
CID 146614516
1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine
CID 63404265
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
CID 60710064
2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 61377500
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine (CID 55004777) is 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine is CCCCN(C(C)CC)C(C)C(N)c1ccccc1.
What is the InChIKey of 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine?
The InChIKey is WRRKBWOIAHVQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-7-13-19(14(3)6-2)15(4)17(18)16-11-9-8-10-12-16/h8-12,14-15,17H,5-7,13,18H2,1-4H3.
What are the key properties of 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine?
2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 55004777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).