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

C14H28N2O2 — CID 102706923

IUPAC5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C14H28N2O2/c1-9-7-10(2)13(15)8-12(9)14(18)16(4)6-5-11(3)17/h9-13,17H,5-8,15H2,1-4H3
InChIKeyQEEJUYRXAOBHNZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.23
Rot. Bonds4

About 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide

5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide (PubChem CID 102706923) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
PubChem CID102706923
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
SMILESCC(O)CCN(C)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C14H28N2O2/c1-9-7-10(2)13(15)8-12(9)14(18)16(4)6-5-11(3)17/h9-13,17H,5-8,15H2,1-4H3
InChIKeyQEEJUYRXAOBHNZ-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Hydroxypropyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide
CID 3016103
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 107487309
5-amino-N-(2-hydroxyethyl)-2,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107487338
(1R,2S,5R)-N-[(3R)-2-amino-3-hydroxybutyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126616651
(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 126617381
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide
CID 55115119
5-amino-N-(2-hydroxyethyl)-2-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 55116658
4-amino-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 55116863
2-amino-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 55116864
3-(4-aminocyclohexyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 55116910
(3-Amino-4-methylcyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 55117091
(3-Amino-2-methylcyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 55117092

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide (CID 102706923) is 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide is CC(O)CCN(C)C(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide?
The InChIKey is QEEJUYRXAOBHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9-7-10(2)13(15)8-12(9)14(18)16(4)6-5-11(3)17/h9-13,17H,5-8,15H2,1-4H3.
What are the key properties of 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide?
5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).