zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine

C13H30N2Zn — CID 171588534

IUPACzinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine
SMILES[CH2-]CCN(C)C(C)C.[CH2-]CCN(C)CC.[Zn+2]
InChIInChI=1S/C7H16N.C6H14N.Zn/c1-5-6-8(4)7(2)3;1-4-6-7(3)5-2;/h7H,1,5-6H2,2-4H3;1,4-6H2,2-3H3;/q2*-1;+2
InChIKeyOVSHVDYWQBAQLI-UHFFFAOYSA-N
MW279.79 g/mol
LogP2.71
Rot. Bonds6

About zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine

zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine (PubChem CID 171588534) has the molecular formula C13H30N2Zn and a molecular weight of 279.79 g/mol. Its IUPAC name is zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine.

Molecular Properties

Compound Namezinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine
PubChem CID171588534
Molecular FormulaC13H30N2Zn
Molecular Weight279.79 g/mol
Exact Mass278.17
IUPAC Namezinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine
SMILES[CH2-]CCN(C)C(C)C.[CH2-]CCN(C)CC.[Zn+2]
InChIInChI=1S/C7H16N.C6H14N.Zn/c1-5-6-8(4)7(2)3;1-4-6-7(3)5-2;/h7H,1,5-6H2,2-4H3;1,4-6H2,2-3H3;/q2*-1;+2
InChIKeyOVSHVDYWQBAQLI-UHFFFAOYSA-N
XLogP2.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
N-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl]-N-methylpropan-2-amine
CID 177053557
zinc;carbanide;N-ethyl-N-methylbutan-1-amine
CID 171588695
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
CID 171588586
2-diethylgallanyl-N-ethyl-N-methylethanamine
CID 163793683
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-ethyl-N-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 165119291
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-(2-hydrazinylethyl)-N-methylpropan-2-amine
CID 91618347

Frequently Asked Questions

What is the IUPAC name of zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine?
The IUPAC name of zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine (CID 171588534) is zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine.
What is the SMILES notation for zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine?
The canonical SMILES for zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine is [CH2-]CCN(C)C(C)C.[CH2-]CCN(C)CC.[Zn+2].
What is the InChIKey of zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine?
The InChIKey is OVSHVDYWQBAQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.C6H14N.Zn/c1-5-6-8(4)7(2)3;1-4-6-7(3)5-2;/h7H,1,5-6H2,2-4H3;1,4-6H2,2-3H3;/q2*-1;+2.
What are the key properties of zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine?
zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine has a molecular weight of 279.79 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine is sourced from PubChem (CID 171588534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).