2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine

C17H28N2 — CID 107397853

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)CCc1ccccc1
InChIInChI=1S/C17H28N2/c1-2-19(14-16-9-6-10-16)17(13-18)12-11-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14,18H2,1H3
InChIKeyFAIOQOMGHXOLMA-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.07
Rot. Bonds8

About 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine (PubChem CID 107397853) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
PubChem CID107397853
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)CCc1ccccc1
InChIInChI=1S/C17H28N2/c1-2-19(14-16-9-6-10-16)17(13-18)12-11-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14,18H2,1H3
InChIKeyFAIOQOMGHXOLMA-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(cyclobutylmethyl)-2-N-ethyl-4-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-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 62880739
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
N-ethyl-4-phenyl-N-(piperidin-3-ylmethyl)butan-2-amine
CID 106624545
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
CID 107397832
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-4-phenylbutane-1,2-diamine
CID 63879251
2-N-methyl-2-N-(oxan-2-ylmethyl)-4-phenylbutane-1,2-diamine
CID 62881613
ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
CID 60709793
N,N-diethyl-4-phenylbutan-2-amine
CID 567866

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine (CID 107397853) is 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine is CCN(CC1CCC1)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine?
The InChIKey is FAIOQOMGHXOLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-19(14-16-9-6-10-16)17(13-18)12-11-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14,18H2,1H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 107397853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).