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

C13H29ClN2O — CID 119658936

IUPACN-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
SMILESCCCCCC(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-5-6-7-8-13(16)15(4)10-9-12(14)11(2)3;/h11-12H,5-10,14H2,1-4H3;1H
InChIKeyODGTVRLEJGAIDI-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.82
Rot. Bonds8

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

N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride (PubChem CID 119658936) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
PubChem CID119658936
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
SMILESCCCCCC(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-5-6-7-8-13(16)15(4)10-9-12(14)11(2)3;/h11-12H,5-10,14H2,1-4H3;1H
InChIKeyODGTVRLEJGAIDI-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
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-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride (CID 119658936) is N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride is CCCCCC(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride?
The InChIKey is ODGTVRLEJGAIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-5-6-7-8-13(16)15(4)10-9-12(14)11(2)3;/h11-12H,5-10,14H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.82, 8 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-methylhexanamide;hydrochloride is sourced from PubChem (CID 119658936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).