N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine

C16H27NS — CID 113494589

IUPACN-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine
SMILESCCCCC(NC(CC)CSC)c1ccccc1
InChIInChI=1S/C16H27NS/c1-4-6-12-16(14-10-8-7-9-11-14)17-15(5-2)13-18-3/h7-11,15-17H,4-6,12-13H2,1-3H3
InChIKeyKTWFECZJVQYKQF-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.65
Rot. Bonds9

About N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine

N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine (PubChem CID 113494589) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine
PubChem CID113494589
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine
SMILESCCCCC(NC(CC)CSC)c1ccccc1
InChIInChI=1S/C16H27NS/c1-4-6-12-16(14-10-8-7-9-11-14)17-15(5-2)13-18-3/h7-11,15-17H,4-6,12-13H2,1-3H3
InChIKeyKTWFECZJVQYKQF-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
N-(1-phenylpropyl)undecan-6-amine
CID 63477274
N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 63945877
N-(2-methyl-3-methylsulfanylpropyl)-1-phenylpentan-1-amine
CID 63983409
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
2-methylsulfanyl-3-(1-phenylhexylamino)butan-1-ol
CID 106159149
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
N-(1-phenylpentyl)heptan-1-amine
CID 10084030

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine?
The IUPAC name of N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine (CID 113494589) is N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine.
What is the SMILES notation for N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine?
The canonical SMILES for N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine is CCCCC(NC(CC)CSC)c1ccccc1.
What is the InChIKey of N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine?
The InChIKey is KTWFECZJVQYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-4-6-12-16(14-10-8-7-9-11-14)17-15(5-2)13-18-3/h7-11,15-17H,4-6,12-13H2,1-3H3.
What are the key properties of N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine?
N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylbutan-2-yl)-1-phenylpentan-1-amine is sourced from PubChem (CID 113494589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).