4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide

C15H28N2O — CID 102629227

IUPAC4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide
SMILESC=CCC(C)NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H28N2O/c1-6-7-10(2)17-14(18)12-8-9-13(16)11(3)15(12,4)5/h6,10-13H,1,7-9,16H2,2-5H3,(H,17,18)
InChIKeyUGDNQXTZAHWKTO-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide (PubChem CID 102629227) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide
PubChem CID102629227
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide
SMILESC=CCC(C)NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H28N2O/c1-6-7-10(2)17-14(18)12-8-9-13(16)11(3)15(12,4)5/h6,10-13H,1,7-9,16H2,2-5H3,(H,17,18)
InChIKeyUGDNQXTZAHWKTO-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.47
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

4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629015
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
2-[[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 102628950
N-pent-4-en-2-ylcyclopropanecarboxamide
CID 115631347
4-amino-2,2,3-trimethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 102628384
4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629114
4-amino-N-(5-amino-5-oxopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106236108
4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 102629260
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide (CID 102629227) is 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide is C=CCC(C)NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is UGDNQXTZAHWKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-7-10(2)17-14(18)12-8-9-13(16)11(3)15(12,4)5/h6,10-13H,1,7-9,16H2,2-5H3,(H,17,18).
What are the key properties of 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).