2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride

C13H27ClN2O — CID 56831854

IUPAC2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
SMILESCCN(C(=O)C(N)C(C)C)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-15(11-8-6-5-7-9-11)13(16)12(14)10(2)3;/h10-12H,4-9,14H2,1-3H3;1H
InChIKeyFMENVRGFNCPWEU-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.57
Rot. Bonds4

About 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride

2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride (PubChem CID 56831854) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
PubChem CID56831854
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
SMILESCCN(C(=O)C(N)C(C)C)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-15(11-8-6-5-7-9-11)13(16)12(14)10(2)3;/h10-12H,4-9,14H2,1-3H3;1H
InChIKeyFMENVRGFNCPWEU-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653
2-[[(2R)-2-amino-3-methylbutanoyl]-cyclopentylamino]acetic acid
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2-amino-N-cyclohexyl-N-ethylbutanamide
CID 43649420
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102861908
2-amino-N-cyclohexyl-N-ethyl-3-methoxypropanamide
CID 81080942
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 60947968
2-bromo-N-cyclohexyl-N-ethylpropanamide
CID 82110731
(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
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N-cyclohexyl-N-ethyl-2,2-difluoroacetamide
CID 103515263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride (CID 56831854) is 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride is CCN(C(=O)C(N)C(C)C)C1CCCCC1.Cl.
What is the InChIKey of 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride?
The InChIKey is FMENVRGFNCPWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-15(11-8-6-5-7-9-11)13(16)12(14)10(2)3;/h10-12H,4-9,14H2,1-3H3;1H.
What are the key properties of 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride?
2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 56831854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).