N-(4-phenylbutyl)hexan-2-amine

C16H27N — CID 114333315

IUPACN-(4-phenylbutyl)hexan-2-amine
SMILESCCCCC(C)NCCCCc1ccccc1
InChIInChI=1S/C16H27N/c1-3-4-10-15(2)17-14-9-8-13-16-11-6-5-7-12-16/h5-7,11-12,15,17H,3-4,8-10,13-14H2,1-2H3
InChIKeyQZCNRYMOIVYCAY-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.18
Rot. Bonds9

About N-(4-phenylbutyl)hexan-2-amine

N-(4-phenylbutyl)hexan-2-amine (PubChem CID 114333315) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(4-phenylbutyl)hexan-2-amine.

Molecular Properties

Compound NameN-(4-phenylbutyl)hexan-2-amine
PubChem CID114333315
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(4-phenylbutyl)hexan-2-amine
SMILESCCCCC(C)NCCCCc1ccccc1
InChIInChI=1S/C16H27N/c1-3-4-10-15(2)17-14-9-8-13-16-11-6-5-7-12-16/h5-7,11-12,15,17H,3-4,8-10,13-14H2,1-2H3
InChIKeyQZCNRYMOIVYCAY-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-phenylbutyl)hexan-2-amine 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

6-phenyl-N-propylhexan-2-amine
CID 61485022
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine
CID 114333571
N'-benzyl-N-hexan-2-yl-N'-methylpropane-1,3-diamine
CID 43760711
3-[3-(hexan-2-ylamino)propyl]aniline
CID 113290671
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897
1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
CID 65486070
(2R)-N-benzylheptan-2-amine
CID 14923313
4-[2-(hexan-2-ylamino)ethyl]aniline
CID 62199328

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)hexan-2-amine?
The IUPAC name of N-(4-phenylbutyl)hexan-2-amine (CID 114333315) is N-(4-phenylbutyl)hexan-2-amine.
What is the SMILES notation for N-(4-phenylbutyl)hexan-2-amine?
The canonical SMILES for N-(4-phenylbutyl)hexan-2-amine is CCCCC(C)NCCCCc1ccccc1.
What is the InChIKey of N-(4-phenylbutyl)hexan-2-amine?
The InChIKey is QZCNRYMOIVYCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-4-10-15(2)17-14-9-8-13-16-11-6-5-7-12-16/h5-7,11-12,15,17H,3-4,8-10,13-14H2,1-2H3.
What are the key properties of N-(4-phenylbutyl)hexan-2-amine?
N-(4-phenylbutyl)hexan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)hexan-2-amine is sourced from PubChem (CID 114333315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).