(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride

C12H25ClN2O — CID 119275217

IUPAC(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(C)C1CCCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-11(13)12(15)14(2)10-8-6-4-5-7-9-10;/h10-11H,3-9,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyKXTFMMYYMRDTAQ-MERQFXBCSA-N
MW248.80 g/mol
LogP2.33
Rot. Bonds3

About (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride

(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride (PubChem CID 119275217) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride
PubChem CID119275217
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride
SMILESCC[C@H](N)C(=O)N(C)C1CCCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-11(13)12(15)14(2)10-8-6-4-5-7-9-10;/h10-11H,3-9,13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyKXTFMMYYMRDTAQ-MERQFXBCSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cycloheptyl-3-methoxy-N-methylpropanamide
CID 81083505
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
2-amino-N-cyclohexyl-N-ethylbutanamide
CID 43649420
(2S)-2-amino-N-cyclobutyl-3-hydroxy-N-methylpropanamide
CID 70338344
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
3-amino-4-[cyclopentyl(methyl)amino]-4-oxobutanoic acid
CID 64894882
4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
2-chloro-N-cyclohexyl-N-methylbutanamide
CID 121204557
(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide
CID 79024466
(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
CID 61154669
methyl 2-[cyclohexyl(methyl)carbamoyl]butanoate
CID 115187885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride (CID 119275217) is (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride is CC[C@H](N)C(=O)N(C)C1CCCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride?
The InChIKey is KXTFMMYYMRDTAQ-MERQFXBCSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-11(13)12(15)14(2)10-8-6-4-5-7-9-10;/h10-11H,3-9,13H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride?
(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119275217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).