copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine

C12H24CuN — CID 134980587

IUPACcopper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine
SMILES[Cu+].[H]/[C-]=C(/CCCC)CCN(CC)CC
InChIInChI=1S/C12H24N.Cu/c1-5-8-9-12(4)10-11-13(6-2)7-3;/h4H,5-11H2,1-3H3;/q-1;+1
InChIKeyVVPJNTCXPZZJCN-UHFFFAOYSA-N
MW245.88 g/mol
LogP3.27
Rot. Bonds8

About copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine

copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine (PubChem CID 134980587) has the molecular formula C12H24CuN and a molecular weight of 245.88 g/mol. Its IUPAC name is copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine.

Molecular Properties

Compound Namecopper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine
PubChem CID134980587
Molecular FormulaC12H24CuN
Molecular Weight245.88 g/mol
Exact Mass245.12
IUPAC Namecopper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine
SMILES[Cu+].[H]/[C-]=C(/CCCC)CCN(CC)CC
InChIInChI=1S/C12H24N.Cu/c1-5-8-9-12(4)10-11-13(6-2)7-3;/h4H,5-11H2,1-3H3;/q-1;+1
InChIKeyVVPJNTCXPZZJCN-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.88
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine?
The IUPAC name of copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine (CID 134980587) is copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine.
What is the SMILES notation for copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine?
The canonical SMILES for copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine is [Cu+].[H]/[C-]=C(/CCCC)CCN(CC)CC.
What is the InChIKey of copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine?
The InChIKey is VVPJNTCXPZZJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N.Cu/c1-5-8-9-12(4)10-11-13(6-2)7-3;/h4H,5-11H2,1-3H3;/q-1;+1.
What are the key properties of copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine?
copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine has a molecular weight of 245.88 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);N,N-diethyl-3-methanidylideneheptan-1-amine is sourced from PubChem (CID 134980587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).