2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine

C19H31NS — CID 79841962

IUPAC2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1C(SCc2ccccc2C)CCCC1(C)C
InChIInChI=1S/C19H31NS/c1-5-13-20-18-17(11-8-12-19(18,3)4)21-14-16-10-7-6-9-15(16)2/h6-7,9-10,17-18,20H,5,8,11-14H2,1-4H3
InChIKeySCQWIEZRGNNCON-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.18
Rot. Bonds6

About 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine

2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine (PubChem CID 79841962) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
PubChem CID79841962
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1C(SCc2ccccc2C)CCCC1(C)C
InChIInChI=1S/C19H31NS/c1-5-13-20-18-17(11-8-12-19(18,3)4)21-14-16-10-7-6-9-15(16)2/h6-7,9-10,17-18,20H,5,8,11-14H2,1-4H3
InChIKeySCQWIEZRGNNCON-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-2,2-dimethyl-5-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-amine
CID 79863622
6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847103
2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 79847964
trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
CID 102735724
3-[3,3-dimethyl-2-(propylamino)cyclohexyl]sulfanyl-2-methylpropan-1-ol
CID 79852758
2-[(2-methylphenyl)methylsulfanyl]cycloheptane-1-carbonitrile
CID 62769994
5-[(2-chlorophenyl)methylsulfanyl]-N,2,2-trimethylcyclopentan-1-amine
CID 103290988
5-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 107656973
N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 107179564
1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine
CID 79865413
1-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexane-1-carbonitrile
CID 79636099
[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
CID 79640204

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine (CID 79841962) is 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine is CCCNC1C(SCc2ccccc2C)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine?
The InChIKey is SCQWIEZRGNNCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-5-13-20-18-17(11-8-12-19(18,3)4)21-14-16-10-7-6-9-15(16)2/h6-7,9-10,17-18,20H,5,8,11-14H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine?
2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(2-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79841962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).