3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine

C14H23NS — CID 64744447

IUPAC3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)C(C)C2)s1
InChIInChI=1S/C14H23NS/c1-10-4-6-13(8-11(10)2)15-9-14-7-5-12(3)16-14/h5,7,10-11,13,15H,4,6,8-9H2,1-3H3
InChIKeyVKKJSRKXOWFWTC-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.97
Rot. Bonds3

About 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine

3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 64744447) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID64744447
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)C(C)C2)s1
InChIInChI=1S/C14H23NS/c1-10-4-6-13(8-11(10)2)15-9-14-7-5-12(3)16-14/h5,7,10-11,13,15H,4,6,8-9H2,1-3H3
InChIKeyVKKJSRKXOWFWTC-UHFFFAOYSA-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

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 65080142
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64745439
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696592
N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 62055887
N-[(5-methylthiophen-2-yl)methyl]spiro[4.5]decan-8-amine
CID 114817596
N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614827
9-methyl-N-[(5-methylthiophen-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471235
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine (CID 64744447) is 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine is Cc1ccc(CNC2CCC(C)C(C)C2)s1.
What is the InChIKey of 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is VKKJSRKXOWFWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10-4-6-13(8-11(10)2)15-9-14-7-5-12(3)16-14/h5,7,10-11,13,15H,4,6,8-9H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[(5-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 3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64744447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).