2-methyl-N-(4-phenylbutyl)pentan-3-amine

C16H27N — CID 114333255

IUPAC2-methyl-N-(4-phenylbutyl)pentan-3-amine
SMILESCCC(NCCCCc1ccccc1)C(C)C
InChIInChI=1S/C16H27N/c1-4-16(14(2)3)17-13-9-8-12-15-10-6-5-7-11-15/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3
InChIKeyQMXHITYSPDLGAL-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.03
Rot. Bonds8

About 2-methyl-N-(4-phenylbutyl)pentan-3-amine

2-methyl-N-(4-phenylbutyl)pentan-3-amine (PubChem CID 114333255) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-N-(4-phenylbutyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(4-phenylbutyl)pentan-3-amine
PubChem CID114333255
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-N-(4-phenylbutyl)pentan-3-amine
SMILESCCC(NCCCCc1ccccc1)C(C)C
InChIInChI=1S/C16H27N/c1-4-16(14(2)3)17-13-9-8-12-15-10-6-5-7-11-15/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3
InChIKeyQMXHITYSPDLGAL-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methyl-N-(3-phenylpropyl)pentan-3-amine
CID 106353921
1-N,1-N,3-trimethyl-2-N-(3-phenylpropyl)butane-1,2-diamine
CID 54953976
1-methylsulfanyl-N-(4-phenylbutyl)butan-2-amine
CID 114333568
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-(1-ethylsulfanylpropan-2-yl)-4-phenylbutan-1-amine
CID 114333571
(2S)-2-(5-phenylpentylamino)propanoic acid
CID 70498389
4-chloro-3-methyl-N-(4-phenylbutyl)butan-2-amine
CID 114334751
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
5-methylheptylbenzene
CID 564254
3-ethyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333397

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenylbutyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(4-phenylbutyl)pentan-3-amine (CID 114333255) is 2-methyl-N-(4-phenylbutyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(4-phenylbutyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(4-phenylbutyl)pentan-3-amine is CCC(NCCCCc1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-N-(4-phenylbutyl)pentan-3-amine?
The InChIKey is QMXHITYSPDLGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-16(14(2)3)17-13-9-8-12-15-10-6-5-7-11-15/h5-7,10-11,14,16-17H,4,8-9,12-13H2,1-3H3.
What are the key properties of 2-methyl-N-(4-phenylbutyl)pentan-3-amine?
2-methyl-N-(4-phenylbutyl)pentan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenylbutyl)pentan-3-amine is sourced from PubChem (CID 114333255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).