3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine

C16H31NS — CID 114115978

IUPAC3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCSC1(CNC2CCCC(C)(C)C2)CCCCC1
InChIInChI=1S/C16H31NS/c1-15(2)9-7-8-14(12-15)17-13-16(18-3)10-5-4-6-11-16/h14,17H,4-13H2,1-3H3
InChIKeyKLCVFKLJILBAGN-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.61
Rot. Bonds4

About 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine

3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 114115978) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
PubChem CID114115978
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCSC1(CNC2CCCC(C)(C)C2)CCCCC1
InChIInChI=1S/C16H31NS/c1-15(2)9-7-8-14(12-15)17-13-16(18-3)10-5-4-6-11-16/h14,17H,4-13H2,1-3H3
InChIKeyKLCVFKLJILBAGN-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
[1-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81435372
3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115962
N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane
CID 143483556
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
2,2-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclopentan-1-amine
CID 107269703
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
4-ethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267028
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 114115737
N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
CID 107269974
3-[[(3,3-dimethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 115732714

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine (CID 114115978) is 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine is CSC1(CNC2CCCC(C)(C)C2)CCCCC1.
What is the InChIKey of 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is KLCVFKLJILBAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-15(2)9-7-8-14(12-15)17-13-16(18-3)10-5-4-6-11-16/h14,17H,4-13H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine?
3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 269.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114115978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).