7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride

C13H28ClN3O2 — CID 119748258

IUPAC7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
SMILESCN(C)C(=O)CCCNC(=O)CCCCCCN.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-16(2)13(18)9-7-11-15-12(17)8-5-3-4-6-10-14;/h3-11,14H2,1-2H3,(H,15,17);1H
InChIKeyWEKWOPMJXSBXKH-UHFFFAOYSA-N
MW293.84 g/mol
LogP1.30
Rot. Bonds10

About 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride

7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride (PubChem CID 119748258) has the molecular formula C13H28ClN3O2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
PubChem CID119748258
Molecular FormulaC13H28ClN3O2
Molecular Weight293.84 g/mol
Exact Mass293.19
IUPAC Name7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
SMILESCN(C)C(=O)CCCNC(=O)CCCCCCN.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-16(2)13(18)9-7-11-15-12(17)8-5-3-4-6-10-14;/h3-11,14H2,1-2H3,(H,15,17);1H
InChIKeyWEKWOPMJXSBXKH-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
CID 86082203
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
7-amino-N-butylheptanamide
CID 24689519
6-amino-N-butylhexanamide
CID 14914743
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride
CID 119866060
N-(6-aminohexyl)dodecanamide
CID 13030555
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride (CID 119748258) is 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride is CN(C)C(=O)CCCNC(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride?
The InChIKey is WEKWOPMJXSBXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2.ClH/c1-16(2)13(18)9-7-11-15-12(17)8-5-3-4-6-10-14;/h3-11,14H2,1-2H3,(H,15,17);1H.
What are the key properties of 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride?
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride is sourced from PubChem (CID 119748258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).