5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide

C15H30N2O2 — CID 102706594

IUPAC5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCCCCN(CCO)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C15H30N2O2/c1-4-5-6-17(7-8-18)15(19)13-10-14(16)12(3)9-11(13)2/h11-14,18H,4-10,16H2,1-3H3
InChIKeyULQPBDCQLMLXIU-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.62
Rot. Bonds6

About 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706594) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706594
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCCCCN(CCO)C(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C15H30N2O2/c1-4-5-6-17(7-8-18)15(19)13-10-14(16)12(3)9-11(13)2/h11-14,18H,4-10,16H2,1-3H3
InChIKeyULQPBDCQLMLXIU-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 55117107
2-amino-N-butyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 62782225
2-amino-N,N-dibutyl-5-methylcyclohexane-1-carboxamide
CID 65456425
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
N-butyl-N-(2-hydroxyethyl)-4-methylpiperidine-2-carboxamide
CID 114423393
4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 62781326
5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706605
2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
CID 114995245
5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706526
2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide
CID 113468096

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide (CID 102706594) is 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide is CCCCN(CCO)C(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is ULQPBDCQLMLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-6-17(7-8-18)15(19)13-10-14(16)12(3)9-11(13)2/h11-14,18H,4-10,16H2,1-3H3.
What are the key properties of 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).