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

C13H21NS — CID 29036169

IUPAC4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)CC2)s1
InChIInChI=1S/C13H21NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h5,8,10,12,14H,3-4,6-7,9H2,1-2H3
InChIKeyASQZGSJNRGIOKH-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.72
Rot. Bonds3

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

4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 29036169) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID29036169
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CNC2CCC(C)CC2)s1
InChIInChI=1S/C13H21NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h5,8,10,12,14H,3-4,6-7,9H2,1-2H3
InChIKeyASQZGSJNRGIOKH-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(5-methylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 65080142
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[(5-methylthiophen-2-yl)methyl]oxan-4-amine
CID 43609618
3,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 64744447
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
N-[(5-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696592
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675
2-[5-[[(4-methylcyclohexyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894323
trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567
trans-(1R,2R)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339568

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine (CID 29036169) is 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine is Cc1ccc(CNC2CCC(C)CC2)s1.
What is the InChIKey of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is ASQZGSJNRGIOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10-3-6-12(7-4-10)14-9-13-8-5-11(2)15-13/h5,8,10,12,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 29036169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).