N-pentan-3-yl-1-phenylpentan-1-amine

C16H27N — CID 43756569

IUPACN-pentan-3-yl-1-phenylpentan-1-amine
SMILESCCCCC(NC(CC)CC)c1ccccc1
InChIInChI=1S/C16H27N/c1-4-7-13-16(17-15(5-2)6-3)14-11-9-8-10-12-14/h8-12,15-17H,4-7,13H2,1-3H3
InChIKeyHYQOEFMCMFDGEE-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.70
Rot. Bonds8

About N-pentan-3-yl-1-phenylpentan-1-amine

N-pentan-3-yl-1-phenylpentan-1-amine (PubChem CID 43756569) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-pentan-3-yl-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-pentan-3-yl-1-phenylpentan-1-amine
PubChem CID43756569
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-pentan-3-yl-1-phenylpentan-1-amine
SMILESCCCCC(NC(CC)CC)c1ccccc1
InChIInChI=1S/C16H27N/c1-4-7-13-16(17-15(5-2)6-3)14-11-9-8-10-12-14/h8-12,15-17H,4-7,13H2,1-3H3
InChIKeyHYQOEFMCMFDGEE-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine
CID 113494589
N-(1-phenylpropyl)undecan-6-amine
CID 63477274
N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 63945877
2,4-dimethyl-N-(1-phenylpentyl)pentan-3-amine
CID 10659103
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-(1-phenylpentyl)octan-2-amine
CID 43791089
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-(1-phenylethyl)hexan-2-amine
CID 43755937
N-(2,2-dimethylpropyl)-1-phenylpentan-1-amine
CID 55191412

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-1-phenylpentan-1-amine?
The IUPAC name of N-pentan-3-yl-1-phenylpentan-1-amine (CID 43756569) is N-pentan-3-yl-1-phenylpentan-1-amine.
What is the SMILES notation for N-pentan-3-yl-1-phenylpentan-1-amine?
The canonical SMILES for N-pentan-3-yl-1-phenylpentan-1-amine is CCCCC(NC(CC)CC)c1ccccc1.
What is the InChIKey of N-pentan-3-yl-1-phenylpentan-1-amine?
The InChIKey is HYQOEFMCMFDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-7-13-16(17-15(5-2)6-3)14-11-9-8-10-12-14/h8-12,15-17H,4-7,13H2,1-3H3.
What are the key properties of N-pentan-3-yl-1-phenylpentan-1-amine?
N-pentan-3-yl-1-phenylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-1-phenylpentan-1-amine is sourced from PubChem (CID 43756569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).