N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine

C13H27NS — CID 107448780

IUPACN-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCSCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C13H27NS/c1-10(2)12-6-5-7-13(8-12)14-11(3)9-15-4/h10-14H,5-9H2,1-4H3
InChIKeyJMMAKWRVFZIHDT-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds5

About N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine

N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448780) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448780
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCSCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C13H27NS/c1-10(2)12-6-5-7-13(8-12)14-11(3)9-15-4/h10-14H,5-9H2,1-4H3
InChIKeyJMMAKWRVFZIHDT-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448809
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine
CID 115721778
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107448786
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine
CID 115898487
3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine
CID 115905868
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448054
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218
N-(2-methoxyethyl)-2-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448750

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (CID 107448780) is N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is CSCC(C)NC1CCCC(C(C)C)C1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is JMMAKWRVFZIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-10(2)12-6-5-7-13(8-12)14-11(3)9-15-4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).