(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride

C12H25ClN2O — CID 119343794

IUPAC(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride
SMILESCC1CC(C)(C)CCC1NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-8-7-12(3,4)6-5-10(8)14-11(15)9(2)13;/h8-10H,5-7,13H2,1-4H3,(H,14,15);1H/t8?,9-,10?;/m1./s1
InChIKeyJQDOCLJFCIMYPV-HNXHQNDXSA-N
MW248.80 g/mol
LogP2.09
Rot. Bonds2

About (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride

(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride (PubChem CID 119343794) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride
PubChem CID119343794
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride
SMILESCC1CC(C)(C)CCC1NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-8-7-12(3,4)6-5-10(8)14-11(15)9(2)13;/h8-10H,5-7,13H2,1-4H3,(H,14,15);1H/t8?,9-,10?;/m1./s1
InChIKeyJQDOCLJFCIMYPV-HNXHQNDXSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride (CID 119343794) is (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride is CC1CC(C)(C)CCC1NC(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride?
The InChIKey is JQDOCLJFCIMYPV-HNXHQNDXSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-8-7-12(3,4)6-5-10(8)14-11(15)9(2)13;/h8-10H,5-7,13H2,1-4H3,(H,14,15);1H/t8?,9-,10?;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride?
(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 119343794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).