zinc;carbanide;N,N-diethylbutan-1-amine

C9H21NZn — CID 171588472

IUPACzinc;carbanide;N,N-diethylbutan-1-amine
SMILES[CH2-]CCCN(CC)CC.[CH3-].[Zn+2]
InChIInChI=1S/C8H18N.CH3.Zn/c1-4-7-8-9(5-2)6-3;;/h1,4-8H2,2-3H3;1H3;/q2*-1;+2
InChIKeyXAQSNQOCKJPJSZ-UHFFFAOYSA-N
MW208.66 g/mol
LogP2.39
Rot. Bonds5

About zinc;carbanide;N,N-diethylbutan-1-amine

zinc;carbanide;N,N-diethylbutan-1-amine (PubChem CID 171588472) has the molecular formula C9H21NZn and a molecular weight of 208.66 g/mol. Its IUPAC name is zinc;carbanide;N,N-diethylbutan-1-amine.

Molecular Properties

Compound Namezinc;carbanide;N,N-diethylbutan-1-amine
PubChem CID171588472
Molecular FormulaC9H21NZn
Molecular Weight208.66 g/mol
Exact Mass207.10
IUPAC Namezinc;carbanide;N,N-diethylbutan-1-amine
SMILES[CH2-]CCCN(CC)CC.[CH3-].[Zn+2]
InChIInChI=1S/C8H18N.CH3.Zn/c1-4-7-8-9(5-2)6-3;;/h1,4-8H2,2-3H3;1H3;/q2*-1;+2
InChIKeyXAQSNQOCKJPJSZ-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.66
LogP ≤ 52.39
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

lithium N,N-dipropylbutan-1-amine
CID 88710321
4-dimethylgallanyl-N,N-diethylbutan-1-amine
CID 19877470
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911
N,N-diethyl-4-silylbutan-1-amine
CID 123327780
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
N',N'-diethylnonane-1,9-diamine
CID 22055140
3-[amino(ethyl)amino]-N,N-diethylpropan-1-amine
CID 102998730
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030

Frequently Asked Questions

What is the IUPAC name of zinc;carbanide;N,N-diethylbutan-1-amine?
The IUPAC name of zinc;carbanide;N,N-diethylbutan-1-amine (CID 171588472) is zinc;carbanide;N,N-diethylbutan-1-amine.
What is the SMILES notation for zinc;carbanide;N,N-diethylbutan-1-amine?
The canonical SMILES for zinc;carbanide;N,N-diethylbutan-1-amine is [CH2-]CCCN(CC)CC.[CH3-].[Zn+2].
What is the InChIKey of zinc;carbanide;N,N-diethylbutan-1-amine?
The InChIKey is XAQSNQOCKJPJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.CH3.Zn/c1-4-7-8-9(5-2)6-3;;/h1,4-8H2,2-3H3;1H3;/q2*-1;+2.
What are the key properties of zinc;carbanide;N,N-diethylbutan-1-amine?
zinc;carbanide;N,N-diethylbutan-1-amine has a molecular weight of 208.66 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;N,N-diethylbutan-1-amine is sourced from PubChem (CID 171588472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).