1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide

C14H22N2OS — CID 64550653

IUPAC1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)Cc2ccsc2)C1
InChIInChI=1S/C14H22N2OS/c1-11-4-3-6-14(15,8-11)13(17)16(2)9-12-5-7-18-10-12/h5,7,10-11H,3-4,6,8-9,15H2,1-2H3
InChIKeyRHDHFBABQJTMDE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.61
Rot. Bonds3

About 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide

1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 64550653) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID64550653
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)Cc2ccsc2)C1
InChIInChI=1S/C14H22N2OS/c1-11-4-3-6-14(15,8-11)13(17)16(2)9-12-5-7-18-10-12/h5,7,10-11H,3-4,6,8-9,15H2,1-2H3
InChIKeyRHDHFBABQJTMDE-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 64551887
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64553804
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551039
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 61167976
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
7-amino-N,8,8-trimethyl-N-(thiophen-3-ylmethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945364
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 62526838
1-amino-N-benzyl-N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 64554419
1-amino-N,3-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 64553576
1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
CID 79074834

Frequently Asked Questions

What is the IUPAC name of 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide (CID 64550653) is 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N(C)Cc2ccsc2)C1.
What is the InChIKey of 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is RHDHFBABQJTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-4-3-6-14(15,8-11)13(17)16(2)9-12-5-7-18-10-12/h5,7,10-11H,3-4,6,8-9,15H2,1-2H3.
What are the key properties of 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide?
1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64550653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).