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

C13H24N2O — CID 115308496

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C13H24N2O/c1-10(2)8-12(16)15-13(9-14)7-5-4-6-11(13)3/h8,11H,4-7,9,14H2,1-3H3,(H,15,16)
InChIKeyKHFOZRYVIKRKKR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.98
Rot. Bonds3

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide (PubChem CID 115308496) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide
PubChem CID115308496
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1(CN)CCCCC1C
InChIInChI=1S/C13H24N2O/c1-10(2)8-12(16)15-13(9-14)7-5-4-6-11(13)3/h8,11H,4-7,9,14H2,1-3H3,(H,15,16)
InChIKeyKHFOZRYVIKRKKR-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide
CID 115308433
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide
CID 115308452
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dimethylbutanamide
CID 113283692
N-[1-(aminomethyl)-2-methylcyclohexyl]nonanamide
CID 115308344
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methoxybutanamide
CID 115308528
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
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
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide (CID 115308496) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NC1(CN)CCCCC1C.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide?
The InChIKey is KHFOZRYVIKRKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)8-12(16)15-13(9-14)7-5-4-6-11(13)3/h8,11H,4-7,9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.98, 3 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]-3-methylbut-2-enamide is sourced from PubChem (CID 115308496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).