N-(1-phenylpropan-2-yl)hexan-1-amine

C15H25N — CID 10998534

IUPACN-(1-phenylpropan-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)Cc1ccccc1
InChIInChI=1S/C15H25N/c1-3-4-5-9-12-16-14(2)13-15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13H2,1-2H3
InChIKeyVTKHNKCOABPSKX-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.79
Rot. Bonds8

About N-(1-phenylpropan-2-yl)hexan-1-amine

N-(1-phenylpropan-2-yl)hexan-1-amine (PubChem CID 10998534) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)hexan-1-amine
PubChem CID10998534
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(1-phenylpropan-2-yl)hexan-1-amine
SMILESCCCCCCNC(C)Cc1ccccc1
InChIInChI=1S/C15H25N/c1-3-4-5-9-12-16-14(2)13-15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13H2,1-2H3
InChIKeyVTKHNKCOABPSKX-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-phenylpropan-2-yl)hexan-1-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

N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
4-[2-(decylamino)propyl]phenol
CID 115494442
5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 103250470
N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
2-(pentylamino)-3-phenylpropanoic acid;hydrate
CID 175282297
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897
3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
CID 9801

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)hexan-1-amine?
The IUPAC name of N-(1-phenylpropan-2-yl)hexan-1-amine (CID 10998534) is N-(1-phenylpropan-2-yl)hexan-1-amine.
What is the SMILES notation for N-(1-phenylpropan-2-yl)hexan-1-amine?
The canonical SMILES for N-(1-phenylpropan-2-yl)hexan-1-amine is CCCCCCNC(C)Cc1ccccc1.
What is the InChIKey of N-(1-phenylpropan-2-yl)hexan-1-amine?
The InChIKey is VTKHNKCOABPSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-5-9-12-16-14(2)13-15-10-7-6-8-11-15/h6-8,10-11,14,16H,3-5,9,12-13H2,1-2H3.
What are the key properties of N-(1-phenylpropan-2-yl)hexan-1-amine?
N-(1-phenylpropan-2-yl)hexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)hexan-1-amine is sourced from PubChem (CID 10998534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).