(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine

C14H23NS — CID 11923130

IUPAC(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccsc1CN[C@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H23NS/c1-10-5-4-6-13(12(10)3)15-9-14-11(2)7-8-16-14/h7-8,10,12-13,15H,4-6,9H2,1-3H3/t10-,12+,13+/m1/s1
InChIKeyBMHHUGHLZOEJOF-WXHSDQCUSA-N
MW237.41 g/mol
LogP3.97
Rot. Bonds3

About (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine

(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 11923130) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID11923130
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccsc1CN[C@H]1CCC[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H23NS/c1-10-5-4-6-13(12(10)3)15-9-14-11(2)7-8-16-14/h7-8,10,12-13,15H,4-6,9H2,1-3H3/t10-,12+,13+/m1/s1
InChIKeyBMHHUGHLZOEJOF-WXHSDQCUSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(1R,2R,3S)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 7839003
(1R,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923126
2-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropan-1-amine
CID 62397682
2-[[(2,3-dimethylcyclopentyl)amino]methyl]thiophen-3-amine
CID 66385415
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
[(1S,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 11923129
[(1R,2S,3R)-2,3-dimethylcyclohexyl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 11923125
2,3-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115651167
(1R,2R,3R,5R)-2,6,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.1.1]heptan-3-amine
CID 71569286
2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 103864495
tert-butyl 2-methyl-3-[(3-methylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 107256627
N-[2-[[(2-methylcycloheptyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386018

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine (CID 11923130) is (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine is Cc1ccsc1CN[C@H]1CCC[C@@H](C)[C@@H]1C.
What is the InChIKey of (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is BMHHUGHLZOEJOF-WXHSDQCUSA-N. The full InChI is InChI=1S/C14H23NS/c1-10-5-4-6-13(12(10)3)15-9-14-11(2)7-8-16-14/h7-8,10,12-13,15H,4-6,9H2,1-3H3/t10-,12+,13+/m1/s1.
What are the key properties of (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 11923130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).