zinc;carbanide;N-ethyl-N-methylbutan-1-amine

C8H19NZn — CID 171588695

IUPACzinc;carbanide;N-ethyl-N-methylbutan-1-amine
SMILES[CH2-]CCCN(C)CC.[CH3-].[Zn+2]
InChIInChI=1S/C7H16N.CH3.Zn/c1-4-6-7-8(3)5-2;;/h1,4-7H2,2-3H3;1H3;/q2*-1;+2
InChIKeySVQJRKWCLFDVQF-UHFFFAOYSA-N
MW194.64 g/mol
LogP2.00
Rot. Bonds4

About zinc;carbanide;N-ethyl-N-methylbutan-1-amine

zinc;carbanide;N-ethyl-N-methylbutan-1-amine (PubChem CID 171588695) has the molecular formula C8H19NZn and a molecular weight of 194.64 g/mol. Its IUPAC name is zinc;carbanide;N-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Namezinc;carbanide;N-ethyl-N-methylbutan-1-amine
PubChem CID171588695
Molecular FormulaC8H19NZn
Molecular Weight194.64 g/mol
Exact Mass193.08
IUPAC Namezinc;carbanide;N-ethyl-N-methylbutan-1-amine
SMILES[CH2-]CCCN(C)CC.[CH3-].[Zn+2]
InChIInChI=1S/C7H16N.CH3.Zn/c1-4-6-7-8(3)5-2;;/h1,4-7H2,2-3H3;1H3;/q2*-1;+2
InChIKeySVQJRKWCLFDVQF-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 52.00
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'}

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Related Compounds

zinc;carbanide;N,N-diethylbutan-1-amine
CID 171588472
3-dimethylgallanyl-N-ethyl-N-methylpropan-1-amine
CID 163442330
zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine
CID 171588534
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
N-ethyl-N-methyltridecan-1-amine
CID 71442842
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
2-diethylgallanyl-N-ethyl-N-methylethanamine
CID 163793683
N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
N-ethyl-N-methyloctadecan-1-amine;hydrochloride
CID 174373981
zinc;carbanide;pentane
CID 59938610
2-[dimethylamino(methyl)amino]-N-ethyl-N-methylethanamine
CID 167248768

Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;N-ethyl-N-methylbutan-1-amine?
The IUPAC name of zinc;carbanide;N-ethyl-N-methylbutan-1-amine (CID 171588695) is zinc;carbanide;N-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for zinc;carbanide;N-ethyl-N-methylbutan-1-amine?
The canonical SMILES for zinc;carbanide;N-ethyl-N-methylbutan-1-amine is [CH2-]CCCN(C)CC.[CH3-].[Zn+2].
What is the InChIKey of zinc;carbanide;N-ethyl-N-methylbutan-1-amine?
The InChIKey is SVQJRKWCLFDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.CH3.Zn/c1-4-6-7-8(3)5-2;;/h1,4-7H2,2-3H3;1H3;/q2*-1;+2.
What are the key properties of zinc;carbanide;N-ethyl-N-methylbutan-1-amine?
zinc;carbanide;N-ethyl-N-methylbutan-1-amine has a molecular weight of 194.64 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;N-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 171588695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).