N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine

C14H27NS — CID 79957712

IUPACN-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
SMILESCC1CCCC(NC2CCCSC2C)C1C
InChIInChI=1S/C14H27NS/c1-10-6-4-7-13(11(10)2)15-14-8-5-9-16-12(14)3/h10-15H,4-9H2,1-3H3
InChIKeyIPNYWJZQJASBIY-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.68
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine

N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine (PubChem CID 79957712) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
PubChem CID79957712
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
SMILESCC1CCCC(NC2CCCSC2C)C1C
InChIInChI=1S/C14H27NS/c1-10-6-4-7-13(11(10)2)15-14-8-5-9-16-12(14)3/h10-15H,4-9H2,1-3H3
InChIKeyIPNYWJZQJASBIY-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
CID 130948671
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
N-(2,3-dimethylcyclohexyl)thian-4-amine
CID 43394865
(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743
2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 79957475
(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
CID 28584708
N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine
CID 64593666
2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103234715
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine
CID 102671503

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine (CID 79957712) is N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine is CC1CCCC(NC2CCCSC2C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine?
The InChIKey is IPNYWJZQJASBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-10-6-4-7-13(11(10)2)15-14-8-5-9-16-12(14)3/h10-15H,4-9H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine?
N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine has a molecular weight of 241.44 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine is sourced from PubChem (CID 79957712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).