N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride

C12H27ClN2O — CID 119657793

IUPACN-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
SMILESCCCCC(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-5-6-7-12(15)14(4)9-8-11(13)10(2)3;/h10-11H,5-9,13H2,1-4H3;1H
InChIKeyOMWXGAMLWWSLNV-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.43
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride (PubChem CID 119657793) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
PubChem CID119657793
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
SMILESCCCCC(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-5-6-7-12(15)14(4)9-8-11(13)10(2)3;/h10-11H,5-9,13H2,1-4H3;1H
InChIKeyOMWXGAMLWWSLNV-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119658936
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N'-(3-amino-4-methylpentyl)-N'-methyl-N-propan-2-ylpentanediamide
CID 119658743
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119660679
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119659545
1-(3-amino-4-methylpentyl)-3-butyl-1-methylurea
CID 115317544
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185
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CID 119659796

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride (CID 119657793) is N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride is CCCCC(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride?
The InChIKey is OMWXGAMLWWSLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-5-6-7-12(15)14(4)9-8-11(13)10(2)3;/h10-11H,5-9,13H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 119657793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).