N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine

C16H25NS — CID 103908817

IUPACN-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NCc2c(C)cccc2C)C1
InChIInChI=1S/C16H25NS/c1-12-6-4-7-13(2)16(12)11-17-14-8-5-9-15(10-14)18-3/h4,6-7,14-15,17H,5,8-11H2,1-3H3
InChIKeyBFVGENNJCXEMSI-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.07
Rot. Bonds4

About N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine

N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine (PubChem CID 103908817) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
PubChem CID103908817
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCC(NCc2c(C)cccc2C)C1
InChIInChI=1S/C16H25NS/c1-12-6-4-7-13(2)16(12)11-17-14-8-5-9-15(10-14)18-3/h4,6-7,14-15,17H,5,8-11H2,1-3H3
InChIKeyBFVGENNJCXEMSI-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122241
2-[[(3-methylsulfanylcyclohexyl)amino]methyl]benzonitrile
CID 113338452
N-[(5-bromofuran-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103527317
N-[(2,6-dimethylphenyl)methyl]thian-3-amine
CID 115897863
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113237893
2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103735291
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104589816
N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104854276

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine (CID 103908817) is N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine is CSC1CCCC(NCc2c(C)cccc2C)C1.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is BFVGENNJCXEMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-12-6-4-7-13(2)16(12)11-17-14-8-5-9-15(10-14)18-3/h4,6-7,14-15,17H,5,8-11H2,1-3H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine?
N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103908817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).