N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine

C19H29NS — CID 65079913

IUPACN-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(SC3CCCC3)cc2)CC1
InChIInChI=1S/C19H29NS/c1-15-5-4-6-16(10-9-15)20-17-11-13-19(14-12-17)21-18-7-2-3-8-18/h11-16,18,20H,2-10H2,1H3
InChIKeyNFIYNYOKKURXBP-UHFFFAOYSA-N
MW303.51 g/mol
LogP6.10
Rot. Bonds4

About N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine

N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine (PubChem CID 65079913) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine
PubChem CID65079913
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(SC3CCCC3)cc2)CC1
InChIInChI=1S/C19H29NS/c1-15-5-4-6-16(10-9-15)20-17-11-13-19(14-12-17)21-18-7-2-3-8-18/h11-16,18,20H,2-10H2,1H3
InChIKeyNFIYNYOKKURXBP-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentylsulfanyl-N-(3-methylcyclohexyl)aniline
CID 43726303
4-cyclopentylsulfanyl-N-(2-methylcyclohexyl)aniline
CID 43726302
1-N-(4-cyclopentylsulfanylphenyl)cyclobutane-1,3-diamine
CID 80560491
4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
CID 65081108
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
4-[(4-methylcyclohexyl)amino]benzaldehyde
CID 145346630
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
4-cyclopentylsulfanyl-N-prop-2-ynylaniline
CID 63953079
4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
CID 64500639

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine (CID 65079913) is N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine is CC1CCCC(Nc2ccc(SC3CCCC3)cc2)CC1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine?
The InChIKey is NFIYNYOKKURXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-15-5-4-6-16(10-9-15)20-17-11-13-19(14-12-17)21-18-7-2-3-8-18/h11-16,18,20H,2-10H2,1H3.
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine?
N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65079913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).