2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine

C13H25NS — CID 107270118

IUPAC2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCSC1(CNC2CCCCC2(C)C)CC1
InChIInChI=1S/C13H25NS/c1-12(2)7-5-4-6-11(12)14-10-13(15-3)8-9-13/h11,14H,4-10H2,1-3H3
InChIKeyVOFAXZUMMMLLRQ-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds4

About 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine

2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine (PubChem CID 107270118) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine
PubChem CID107270118
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCSC1(CNC2CCCCC2(C)C)CC1
InChIInChI=1S/C13H25NS/c1-12(2)7-5-4-6-11(12)14-10-13(15-3)8-9-13/h11,14H,4-10H2,1-3H3
InChIKeyVOFAXZUMMMLLRQ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclopentan-1-amine
CID 107269703
1-[[(2,2-dimethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 79856985
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79860846
2,2-dimethyl-3-[(1-methylsulfanylcyclopropyl)methylamino]cyclobutan-1-ol
CID 107269896
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclopentan-1-amine
CID 107267414
N-ethyl-2,2-dimethylcyclopentan-1-amine;hydrochloride
CID 154577104
3,3-dimethyl-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115978
N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine
CID 79828517
N-(cyclooctylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 114207760
2,2-dimethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 79836799

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine (CID 107270118) is 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine is CSC1(CNC2CCCCC2(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine?
The InChIKey is VOFAXZUMMMLLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-12(2)7-5-4-6-11(12)14-10-13(15-3)8-9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine?
2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107270118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).