N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide

C12H22N2O — CID 115308433

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide
SMILESC=CCC(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C12H22N2O/c1-3-6-11(15)14-12(9-13)8-5-4-7-10(12)2/h3,10H,1,4-9,13H2,2H3,(H,14,15)
InChIKeyAFSUNFJQILLHOB-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.59
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide

N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide (PubChem CID 115308433) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide
PubChem CID115308433
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide
SMILESC=CCC(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C12H22N2O/c1-3-6-11(15)14-12(9-13)8-5-4-7-10(12)2/h3,10H,1,4-9,13H2,2H3,(H,14,15)
InChIKeyAFSUNFJQILLHOB-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide
CID 115308452
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide
CID 115308496
N-[1-(aminomethyl)-2-methylcyclohexyl]nonanamide
CID 115308344
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methoxybutanamide
CID 115308528
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dimethylbutanamide
CID 113283692
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide
CID 115308576
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 115308488
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine
CID 65382192
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide (CID 115308433) is N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide is C=CCC(=O)NC1(CN)CCCCC1C.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide?
The InChIKey is AFSUNFJQILLHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-11(15)14-12(9-13)8-5-4-7-10(12)2/h3,10H,1,4-9,13H2,2H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide is sourced from PubChem (CID 115308433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).