N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine

C18H29NOS — CID 115903696

IUPACN-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine
SMILESCC(CCNC(c1ccccc1)C1CCCCC1)S(C)=O
InChIInChI=1S/C18H29NOS/c1-15(21(2)20)13-14-19-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,15,17-19H,4,7-8,11-14H2,1-2H3
InChIKeyDUSWUKYGIPKHNU-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.05
Rot. Bonds7

About N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine

N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine (PubChem CID 115903696) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine
PubChem CID115903696
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine
SMILESCC(CCNC(c1ccccc1)C1CCCCC1)S(C)=O
InChIInChI=1S/C18H29NOS/c1-15(21(2)20)13-14-19-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,15,17-19H,4,7-8,11-14H2,1-2H3
InChIKeyDUSWUKYGIPKHNU-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
2-[[cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 56785981
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
N-[cyclohexyl(phenyl)methyl]pentan-2-amine
CID 43103715
N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 67118786

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine (CID 115903696) is N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine is CC(CCNC(c1ccccc1)C1CCCCC1)S(C)=O.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine?
The InChIKey is DUSWUKYGIPKHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-15(21(2)20)13-14-19-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,15,17-19H,4,7-8,11-14H2,1-2H3.
What are the key properties of N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine?
N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine has a molecular weight of 307.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-3-methylsulfinylbutan-1-amine is sourced from PubChem (CID 115903696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).