bromozinc(1+);N,N-diethylpentanamide

C9H18BrNOZn — CID 134897619

IUPACbromozinc(1+);N,N-diethylpentanamide
SMILES[CH2-]CCCC(=O)N(CC)CC.[Zn+]Br
InChIInChI=1S/C9H18NO.BrH.Zn/c1-4-7-8-9(11)10(5-2)6-3;;/h1,4-8H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyRGQWAFFJPZKTQT-UHFFFAOYSA-M
MW301.54 g/mol
LogP2.70
Rot. Bonds5

About bromozinc(1+);N,N-diethylpentanamide

bromozinc(1+);N,N-diethylpentanamide (PubChem CID 134897619) has the molecular formula C9H18BrNOZn and a molecular weight of 301.54 g/mol. Its IUPAC name is bromozinc(1+);N,N-diethylpentanamide.

Molecular Properties

Compound Namebromozinc(1+);N,N-diethylpentanamide
PubChem CID134897619
Molecular FormulaC9H18BrNOZn
Molecular Weight301.54 g/mol
Exact Mass298.99
IUPAC Namebromozinc(1+);N,N-diethylpentanamide
SMILES[CH2-]CCCC(=O)N(CC)CC.[Zn+]Br
InChIInChI=1S/C9H18NO.BrH.Zn/c1-4-7-8-9(11)10(5-2)6-3;;/h1,4-8H2,2-3H3;1H;/q-1;;+2/p-1
InChIKeyRGQWAFFJPZKTQT-UHFFFAOYSA-M
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bromozinc(1+);N,N-diethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N',N'-tetraethyl-5-oxononanediamide
CID 24828551
5-bromo-N,N-diethylpentanamide
CID 11459002
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid
CID 43465984
6-[(2-amino-2-oxoethyl)-ethylamino]-6-oxohexanoic acid
CID 103101524
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
5-amino-N,N-diethylhexanamide
CID 82848451
N,N-diethyl-10-oxodecanamide
CID 130369072
methyl 5-(diethylamino)-5-oxopentanoate
CID 12618393
6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
CID 43588237

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);N,N-diethylpentanamide?
The IUPAC name of bromozinc(1+);N,N-diethylpentanamide (CID 134897619) is bromozinc(1+);N,N-diethylpentanamide.
What is the SMILES notation for bromozinc(1+);N,N-diethylpentanamide?
The canonical SMILES for bromozinc(1+);N,N-diethylpentanamide is [CH2-]CCCC(=O)N(CC)CC.[Zn+]Br.
What is the InChIKey of bromozinc(1+);N,N-diethylpentanamide?
The InChIKey is RGQWAFFJPZKTQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO.BrH.Zn/c1-4-7-8-9(11)10(5-2)6-3;;/h1,4-8H2,2-3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);N,N-diethylpentanamide?
bromozinc(1+);N,N-diethylpentanamide has a molecular weight of 301.54 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);N,N-diethylpentanamide is sourced from PubChem (CID 134897619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).