5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide

C14H28N2O2 — CID 79385894

IUPAC5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CC(N)CCC1C
InChIInChI=1S/C14H28N2O2/c1-5-16(9-14(3,4)18)13(17)12-8-11(15)7-6-10(12)2/h10-12,18H,5-9,15H2,1-4H3
InChIKeyNGNGZXCGVACCRB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.37
Rot. Bonds4

About 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide

5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide (PubChem CID 79385894) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide
PubChem CID79385894
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CC(N)CCC1C
InChIInChI=1S/C14H28N2O2/c1-5-16(9-14(3,4)18)13(17)12-8-11(15)7-6-10(12)2/h10-12,18H,5-9,15H2,1-4H3
InChIKeyNGNGZXCGVACCRB-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,2-dimethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 63961904
5-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 62781192
5-chloro-N,N-diethyl-2-methylcyclohexane-1-carboxamide
CID 86118726
cis-(1R,2S)-N,N-diethyl-2-methylcyclopropane-1-carboxamide
CID 121226955
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylpyrrolidine-2-carboxamide
CID 102779702
N-ethyl-N-(2-hydroxy-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761925
5-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55117060
N-ethyl-N-(2-hydroxy-2-methylpropyl)azetidine-3-carboxamide
CID 79379562
3-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79387577
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 79387282
5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62781149
N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohex-3-ene-1-carboxamide
CID 71983310

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide (CID 79385894) is 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide is CCN(CC(C)(C)O)C(=O)C1CC(N)CCC1C.
What is the InChIKey of 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide?
The InChIKey is NGNGZXCGVACCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-16(9-14(3,4)18)13(17)12-8-11(15)7-6-10(12)2/h10-12,18H,5-9,15H2,1-4H3.
What are the key properties of 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide?
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79385894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).