N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride

C13H27ClN2O — CID 119385531

IUPACN-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
SMILESCC1CC(CC(=O)NCCN)CC(C)(C)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10-6-11(9-13(2,3)8-10)7-12(16)15-5-4-14;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H
InChIKeyULQBDASYTVJQSZ-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.34
Rot. Bonds4

About N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride (PubChem CID 119385531) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
PubChem CID119385531
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
SMILESCC1CC(CC(=O)NCCN)CC(C)(C)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10-6-11(9-13(2,3)8-10)7-12(16)15-5-4-14;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H
InChIKeyULQBDASYTVJQSZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
N-butylcyclohexanecarboxamide
CID 3544722
3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
Cambridge id 5561203
CID 2852753
Abt-769
CID 10398206
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-(dimethylamino)ethyl)-
CID 3041449
Isooctadecanamide, N-(2-((2-aminoethyl)amino)ethyl)-
CID 109516
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
Ethanaminium, N-ethyl-N,N-dimethyl-2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-, iodide
CID 3041450
1,3,5-trimethyl-1-N,3-N,5-N-tris(2-methylpropyl)cyclohexane-1,3,5-tricarboxamide
CID 11339245

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride (CID 119385531) is N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride is CC1CC(CC(=O)NCCN)CC(C)(C)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride?
The InChIKey is ULQBDASYTVJQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10-6-11(9-13(2,3)8-10)7-12(16)15-5-4-14;/h10-11H,4-9,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119385531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).