(2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride

C13H27ClN2O — CID 103740432

IUPAC(2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride
SMILESCC(N[C@H](C)C(=O)N(C)C)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(12-8-6-5-7-9-12)14-11(2)13(16)15(3)4;/h10-12,14H,5-9H2,1-4H3;1H/t10?,11-;/m1./s1
InChIKeyPZMJDVNKGHFPQO-PSDUUTOMSA-N
MW262.82 g/mol
LogP2.44
Rot. Bonds4

About (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride

(2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride (PubChem CID 103740432) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride
PubChem CID103740432
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name(2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride
SMILESCC(N[C@H](C)C(=O)N(C)C)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(12-8-6-5-7-9-12)14-11(2)13(16)15(3)4;/h10-12,14H,5-9H2,1-4H3;1H/t10?,11-;/m1./s1
InChIKeyPZMJDVNKGHFPQO-PSDUUTOMSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide
CID 14930114
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
N,N-dimethyl-2-(propan-2-ylamino)propanamide
CID 43085810
N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 81391633
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
2-[[(1R)-1-cyclohexylethyl]amino]-N-(2-methylpropyl)propanamide
CID 81385143

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride (CID 103740432) is (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride is CC(N[C@H](C)C(=O)N(C)C)C1CCCCC1.Cl.
What is the InChIKey of (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride?
The InChIKey is PZMJDVNKGHFPQO-PSDUUTOMSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(12-8-6-5-7-9-12)14-11(2)13(16)15(3)4;/h10-12,14H,5-9H2,1-4H3;1H/t10?,11-;/m1./s1.
What are the key properties of (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride?
(2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclohexylethylamino)-N,N-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 103740432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).