N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride

C14H29ClN2O — CID 120505210

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
SMILESCCC(CC1CCCCC1)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-13(14(17)16-11(2)10-15)9-12-7-5-4-6-8-12;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H/t11-,13?;/m0./s1
InChIKeyZGFVLUMGIHFLCL-BSGBVQJMSA-N
MW276.85 g/mol
LogP2.87
Rot. Bonds6

About N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride (PubChem CID 120505210) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
PubChem CID120505210
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
SMILESCCC(CC1CCCCC1)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-13(14(17)16-11(2)10-15)9-12-7-5-4-6-8-12;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H/t11-,13?;/m0./s1
InChIKeyZGFVLUMGIHFLCL-BSGBVQJMSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 119996125
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381
2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
CID 62405592
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500875
N-(2-amino-1-cyclopropylethyl)-2-(cyclohexylmethyl)pentanamide
CID 119615833
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
2-(cyclohexylmethyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119450514
2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
CID 69268124
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride (CID 120505210) is N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride is CCC(CC1CCCCC1)C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride?
The InChIKey is ZGFVLUMGIHFLCL-BSGBVQJMSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-3-13(14(17)16-11(2)10-15)9-12-7-5-4-6-8-12;/h11-13H,3-10,15H2,1-2H3,(H,16,17);1H/t11-,13?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 120505210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).