N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide

C14H22N2OS — CID 115308378

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C14H22N2OS/c1-10-7-18-8-12(10)13(17)16-14(9-15)6-4-3-5-11(14)2/h7-8,11H,3-6,9,15H2,1-2H3,(H,16,17)
InChIKeyVTWXTAIBEVUMQV-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.69
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide (PubChem CID 115308378) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
PubChem CID115308378
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C14H22N2OS/c1-10-7-18-8-12(10)13(17)16-14(9-15)6-4-3-5-11(14)2/h7-8,11H,3-6,9,15H2,1-2H3,(H,16,17)
InChIKeyVTWXTAIBEVUMQV-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-chloro-2-hydroxybenzamide
CID 115308656
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
CID 113283690
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 115308550
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-chloro-5-methylsulfanylbenzamide
CID 115308437
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 115308388

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide (CID 115308378) is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC1(CN)CCCCC1C.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide?
The InChIKey is VTWXTAIBEVUMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-7-18-8-12(10)13(17)16-14(9-15)6-4-3-5-11(14)2/h7-8,11H,3-6,9,15H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 115308378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).