N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine

C16H29NS — CID 114122679

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCC(NCC2CC(C)=CC(C)C2)CC1
InChIInChI=1S/C16H29NS/c1-12-8-13(2)10-14(9-12)11-17-15-4-6-16(18-3)7-5-15/h8,12,14-17H,4-7,9-11H2,1-3H3
InChIKeyOACVIYNPKHRROC-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.24
Rot. Bonds4

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine (PubChem CID 114122679) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
PubChem CID114122679
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCC(NCC2CC(C)=CC(C)C2)CC1
InChIInChI=1S/C16H29NS/c1-12-8-13(2)10-14(9-12)11-17-15-4-6-16(18-3)7-5-15/h8,12,14-17H,4-7,9-11H2,1-3H3
InChIKeyOACVIYNPKHRROC-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine with MolForge

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Related Compounds

1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine
CID 103276499
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine
CID 103276630
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 103276215
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103276855
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,1-dioxothian-3-amine
CID 103276802
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253467
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 103277087
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103276820
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 119036320
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine (CID 114122679) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine is CSC1CCC(NCC2CC(C)=CC(C)C2)CC1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine?
The InChIKey is OACVIYNPKHRROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-12-8-13(2)10-14(9-12)11-17-15-4-6-16(18-3)7-5-15/h8,12,14-17H,4-7,9-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 114122679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).