4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide

C15H30N2O — CID 102628205

IUPAC4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
SMILESCCCCCNC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H30N2O/c1-5-6-7-10-17-14(18)12-8-9-13(16)11(2)15(12,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyQGLPHFWSMDNDAJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds5

About 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide (PubChem CID 102628205) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
PubChem CID102628205
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
SMILESCCCCCNC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H30N2O/c1-5-6-7-10-17-14(18)12-8-9-13(16)11(2)15(12,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyQGLPHFWSMDNDAJ-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-amino-5-oxopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106236108
4-amino-N-[4-(dimethylamino)butyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628742
4-amino-N-(3-cyanopropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628781
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628489
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide
CID 103307661
4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 102629260
2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 102629028
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629235

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide (CID 102628205) is 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide is CCCCCNC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide?
The InChIKey is QGLPHFWSMDNDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-6-7-10-17-14(18)12-8-9-13(16)11(2)15(12,3)4/h11-13H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 5 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-pentylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).