4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine

C14H27NS — CID 107267245

IUPAC4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
SMILESCSC1(CNC2CCC(C)(C)CC2)CCC1
InChIInChI=1S/C14H27NS/c1-13(2)9-5-12(6-10-13)15-11-14(16-3)7-4-8-14/h12,15H,4-11H2,1-3H3
InChIKeyMMTOXAVBTCYCDV-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds4

About 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine

4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine (PubChem CID 107267245) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
PubChem CID107267245
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
SMILESCSC1(CNC2CCC(C)(C)CC2)CCC1
InChIInChI=1S/C14H27NS/c1-13(2)9-5-12(6-10-13)15-11-14(16-3)7-4-8-14/h12,15H,4-11H2,1-3H3
InChIKeyMMTOXAVBTCYCDV-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

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-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115978
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
2,2-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclopentan-1-amine
CID 107269703
N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 107267283
N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 126988189
N-[(1-methylsulfanylcyclobutyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 107266934
3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115962
N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 107267219
2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine
CID 107270118
N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
CID 107269974

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine (CID 107267245) is 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine is CSC1(CNC2CCC(C)(C)CC2)CCC1.
What is the InChIKey of 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine?
The InChIKey is MMTOXAVBTCYCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-13(2)9-5-12(6-10-13)15-11-14(16-3)7-4-8-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine?
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107267245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).