2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride

C13H27ClN2O — CID 119285417

IUPAC2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
SMILESCC(N)C(=O)NC1CCCCC1C(C)(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H
InChIKeyXYFWPZAZPYHRTN-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds2

About 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride

2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride (PubChem CID 119285417) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
PubChem CID119285417
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
SMILESCC(N)C(=O)NC1CCCCC1C(C)(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H
InChIKeyXYFWPZAZPYHRTN-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
(2S)-2-amino-N-(2-tert-butylcyclohexyl)-3-methylpentanamide
CID 61174579
N-(2-tert-butylcyclohexyl)-2-methoxypropanamide
CID 112685778
N-[(2S)-1-[[(1S,2S)-2-tert-butylcyclohexyl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 124857090
2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
CID 116675144
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-aminopropanamide
CID 96554576
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
N-(2-tert-butylcyclohexyl)cyclobutanecarboxamide
CID 6466635
(2S)-2-amino-N-(2-methylsulfanylcyclopentyl)propanamide
CID 103797253

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride (CID 119285417) is 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride is CC(N)C(=O)NC1CCCCC1C(C)(C)C.Cl.
What is the InChIKey of 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride?
The InChIKey is XYFWPZAZPYHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-9(14)12(16)15-11-8-6-5-7-10(11)13(2,3)4;/h9-11H,5-8,14H2,1-4H3,(H,15,16);1H.
What are the key properties of 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride?
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 119285417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).