N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine

C13H25NS — CID 102671503

IUPACN-(2-ethylcyclohexyl)-2-methylthiolan-3-amine
SMILESCCC1CCCCC1NC1CCSC1C
InChIInChI=1S/C13H25NS/c1-3-11-6-4-5-7-13(11)14-12-8-9-15-10(12)2/h10-14H,3-9H2,1-2H3
InChIKeyGDHKBLFFGJLXPH-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds3

About N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine

N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine (PubChem CID 102671503) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-2-methylthiolan-3-amine
PubChem CID102671503
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-(2-ethylcyclohexyl)-2-methylthiolan-3-amine
SMILESCCC1CCCCC1NC1CCSC1C
InChIInChI=1S/C13H25NS/c1-3-11-6-4-5-7-13(11)14-12-8-9-15-10(12)2/h10-14H,3-9H2,1-2H3
InChIKeyGDHKBLFFGJLXPH-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743
2-ethyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103960948
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
2-[(2-ethylcyclopentyl)amino]cyclopentan-1-ol
CID 130639368
2-[(2-ethylcyclobutyl)amino]cyclopentan-1-ol
CID 130676502
N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
CID 79957712
N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
CID 130948671
2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 79957475
N-(2-ethylcyclopentyl)thian-3-amine
CID 115726681
2-ethyl-N-(2-propylcyclopropyl)cyclopentan-1-amine
CID 115892233
N-(2-ethylcyclohexyl)oxan-4-amine
CID 43709257
1-N-(2-ethylcyclohexyl)cyclobutane-1,3-diamine
CID 80559999

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine (CID 102671503) is N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine is CCC1CCCCC1NC1CCSC1C.
What is the InChIKey of N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine?
The InChIKey is GDHKBLFFGJLXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-3-11-6-4-5-7-13(11)14-12-8-9-15-10(12)2/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine?
N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine is sourced from PubChem (CID 102671503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).