N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride

C12H27ClN2O — CID 119657234

IUPACN-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
SMILESCCC(C)C(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-6-10(4)12(15)14(5)8-7-11(13)9(2)3;/h9-11H,6-8,13H2,1-5H3;1H
InChIKeyWAXBNDPWDWJFRE-UHFFFAOYSA-N
MW250.81 g/mol
LogP2.29
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride

N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride (PubChem CID 119657234) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
PubChem CID119657234
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
SMILESCCC(C)C(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-6-10(4)12(15)14(5)8-7-11(13)9(2)3;/h9-11H,6-8,13H2,1-5H3;1H
InChIKeyWAXBNDPWDWJFRE-UHFFFAOYSA-N
XLogP2.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N,2-dimethyl-N-propylbutanamide
CID 89368936
N-(3-amino-4-methylpentyl)-2-(diethylamino)-N-methylacetamide;dihydrochloride
CID 119657669
N-(3-amino-4-methylpentyl)-N-methylpentanamide;hydrochloride
CID 119657793
N-(3-amino-4-methylpentyl)-2-(carbamoylamino)-N-methylpropanamide
CID 119658379
N-(3-amino-4-methylpentyl)-N-methylhexanamide;hydrochloride
CID 119658936
N-[1-[(3-amino-4-methylpentyl)-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119660529
N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
N-(3-amino-4-methylpentyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119658832
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride (CID 119657234) is N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride is CCC(C)C(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride?
The InChIKey is WAXBNDPWDWJFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-6-10(4)12(15)14(5)8-7-11(13)9(2)3;/h9-11H,6-8,13H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.29, 6 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,2-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119657234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).