N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride

C15H31ClN2O — CID 119996125

IUPACN-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
SMILESCCC(CC1CCCCC1)C(=O)NCC(C)CN.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-3-14(9-13-7-5-4-6-8-13)15(18)17-11-12(2)10-16;/h12-14H,3-11,16H2,1-2H3,(H,17,18);1H
InChIKeyBGJRWAKDNDXWOK-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.12
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride

N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride (PubChem CID 119996125) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
PubChem CID119996125
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC NameN-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
SMILESCCC(CC1CCCCC1)C(=O)NCC(C)CN.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-3-14(9-13-7-5-4-6-8-13)15(18)17-11-12(2)10-16;/h12-14H,3-11,16H2,1-2H3,(H,17,18);1H
InChIKeyBGJRWAKDNDXWOK-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(cyclopentylmethyl)pentanamide;hydrochloride
CID 119995428
N-(3-amino-2-methylpropyl)-3-cyclohexyl-2-methylpropanamide
CID 119996085
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
N-(3-aminobutyl)-2-(cyclohexylmethyl)butanamide
CID 119495852
2-(cyclohexylmethyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
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(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
CID 62405592
2-[2-(cyclopentylmethyl)butanoylamino]propanoic acid
CID 119225381
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510206
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119547626
N-(3-amino-2-methylpropyl)-2-cyclohexylsulfonyl-3-methylbutanamide
CID 119995772

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride (CID 119996125) is N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride is CCC(CC1CCCCC1)C(=O)NCC(C)CN.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride?
The InChIKey is BGJRWAKDNDXWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-3-14(9-13-7-5-4-6-8-13)15(18)17-11-12(2)10-16;/h12-14H,3-11,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119996125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).