1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide

C17H28N2OS — CID 115441973

IUPAC1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
SMILESCCCC(NC(=O)C1(CN)CCC(C)CC1)c1cccs1
InChIInChI=1S/C17H28N2OS/c1-3-5-14(15-6-4-11-21-15)19-16(20)17(12-18)9-7-13(2)8-10-17/h4,6,11,13-14H,3,5,7-10,12,18H2,1-2H3,(H,19,20)
InChIKeyXTTARYXLDIJNNK-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.86
Rot. Bonds6

About 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide (PubChem CID 115441973) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
PubChem CID115441973
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
SMILESCCCC(NC(=O)C1(CN)CCC(C)CC1)c1cccs1
InChIInChI=1S/C17H28N2OS/c1-3-5-14(15-6-4-11-21-15)19-16(20)17(12-18)9-7-13(2)8-10-17/h4,6,11,13-14H,3,5,7-10,12,18H2,1-2H3,(H,19,20)
InChIKeyXTTARYXLDIJNNK-UHFFFAOYSA-N
XLogP3.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(1-thiophen-2-ylbutyl)cyclopentane-1-carboxamide
CID 115435212
1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80599692
1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80589308
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086
[1-(aminomethyl)-4-methylcyclohexyl]-thiophen-2-ylmethanone
CID 116604219
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide (CID 115441973) is 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide is CCCC(NC(=O)C1(CN)CCC(C)CC1)c1cccs1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide?
The InChIKey is XTTARYXLDIJNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-3-5-14(15-6-4-11-21-15)19-16(20)17(12-18)9-7-13(2)8-10-17/h4,6,11,13-14H,3,5,7-10,12,18H2,1-2H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide has a molecular weight of 308.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115441973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).