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

C15H30N2O2 — CID 102629114

IUPAC4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC(C)(C)CO)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-10-12(16)7-6-11(15(10,4)5)13(19)17-8-14(2,3)9-18/h10-12,18H,6-9,16H2,1-5H3,(H,17,19)
InChIKeyAOFVRYILDPBDCY-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.52
Rot. Bonds4

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

4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629114) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629114
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC(C)(C)CO)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-10-12(16)7-6-11(15(10,4)5)13(19)17-8-14(2,3)9-18/h10-12,18H,6-9,16H2,1-5H3,(H,17,19)
InChIKeyAOFVRYILDPBDCY-UHFFFAOYSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Hydroxypropyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide
CID 3016103
4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628554
4-amino-2,2,3-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 105645953
4-amino-N-(3,3-difluoro-2-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 105646219
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106176981
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 107479267
N-ethyl-2-[3-(ethylamino)-2,6-dimethylcyclohexyl]acetamide
CID 23529450
2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide
CID 70333061
(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126617381
3-Hydroxypropanamide;7-(2-methylpropylamino)-2-azaspiro[3.5]nonan-3-one
CID 142283693
4-tert-butyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 43390026
4-amino-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 54916767

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629114) is 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCC(C)(C)CO)C1(C)C.
What is the InChIKey of 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is AOFVRYILDPBDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-10-12(16)7-6-11(15(10,4)5)13(19)17-8-14(2,3)9-18/h10-12,18H,6-9,16H2,1-5H3,(H,17,19).
What are the key properties of 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).