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

C15H29NOS — CID 114115962

IUPAC3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCOC1CCCC(NCC2(SC)CCCCC2)C1
InChIInChI=1S/C15H29NOS/c1-17-14-8-6-7-13(11-14)16-12-15(18-2)9-4-3-5-10-15/h13-14,16H,3-12H2,1-2H3
InChIKeyCJNAXQTYJNNZGY-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.60
Rot. Bonds5

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

3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 114115962) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
PubChem CID114115962
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCOC1CCCC(NCC2(SC)CCCCC2)C1
InChIInChI=1S/C15H29NOS/c1-17-14-8-6-7-13(11-14)16-12-15(18-2)9-4-3-5-10-15/h13-14,16H,3-12H2,1-2H3
InChIKeyCJNAXQTYJNNZGY-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115978
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
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
3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
CID 114078738
tert-butyl N-[4-[(1-methylsulfanylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 114116040
trans-(1S,3S)-N-[(4-methylsulfanyloxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129381562
1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-ol
CID 65107402
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine
CID 106872015
N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
CID 107269974
N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 107267283

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine (CID 114115962) is 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine is COC1CCCC(NCC2(SC)CCCCC2)C1.
What is the InChIKey of 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is CJNAXQTYJNNZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-17-14-8-6-7-13(11-14)16-12-15(18-2)9-4-3-5-10-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine?
3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 271.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114115962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).