4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C18H34N2O — CID 102628489

IUPAC4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCCC2CCCCC2)C1(C)C
InChIInChI=1S/C18H34N2O/c1-13-16(19)10-9-15(18(13,2)3)17(21)20-12-11-14-7-5-4-6-8-14/h13-16H,4-12,19H2,1-3H3,(H,20,21)
InChIKeyYSOGCGQUQOULBQ-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.47
Rot. Bonds4

About 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628489) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628489
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCCC2CCCCC2)C1(C)C
InChIInChI=1S/C18H34N2O/c1-13-16(19)10-9-15(18(13,2)3)17(21)20-12-11-14-7-5-4-6-8-14/h13-16H,4-12,19H2,1-3H3,(H,20,21)
InChIKeyYSOGCGQUQOULBQ-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-N-(5-amino-5-oxopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106236108
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
4-amino-N-(3-cyanopropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628781
4-amino-N-[4-(dimethylamino)butyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628742
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
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
cyclopentylmethyl 4-amino-2,2,3-trimethylcyclohexane-1-carboxylate
CID 102629669
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 102628994

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628489) is 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCCC2CCCCC2)C1(C)C.
What is the InChIKey of 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is YSOGCGQUQOULBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-13-16(19)10-9-15(18(13,2)3)17(21)20-12-11-14-7-5-4-6-8-14/h13-16H,4-12,19H2,1-3H3,(H,20,21).
What are the key properties of 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 294.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).