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

C14H29ClN2O — CID 119408980

IUPACN-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
SMILESCC1CC(CC(=O)NCCCN)CC(C)(C)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11-7-12(10-14(2,3)9-11)8-13(17)16-6-4-5-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H
InChIKeyXQHOKIXEKYMXHD-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.73
Rot. Bonds5

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

N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride (PubChem CID 119408980) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
PubChem CID119408980
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
SMILESCC1CC(CC(=O)NCCCN)CC(C)(C)C1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-11-7-12(10-14(2,3)9-11)8-13(17)16-6-4-5-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H
InChIKeyXQHOKIXEKYMXHD-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119385531
N-(2-sulfamoylethyl)-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 95180129
N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 119538141
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 120947279
N-[(4-hydroxyphenyl)methyl]-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 86884561
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
[(1S,5R)-3,3,5-trimethylcyclohexyl]methanamine
CID 93286265
2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide
CID 109468073
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1R,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431139
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431138
2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid
CID 119171819

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride (CID 119408980) is N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride is CC1CC(CC(=O)NCCCN)CC(C)(C)C1.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride?
The InChIKey is XQHOKIXEKYMXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-11-7-12(10-14(2,3)9-11)8-13(17)16-6-4-5-15;/h11-12H,4-10,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride?
N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119408980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).