carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium

C17H36N2Zr-4 — CID 58554792

IUPACcarbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium
SMILESC[N-]N(C)C1CCCCC1CC1CCCC1.[CH3-].[CH3-].[CH3-].[Zr]
InChIInChI=1S/C14H27N2.3CH3.Zr/c1-15-16(2)14-10-6-5-9-13(14)11-12-7-3-4-8-12;;;;/h12-14H,3-11H2,1-2H3;3*1H3;/q4*-1;
InChIKeyPRBUTJUMFXDZFR-UHFFFAOYSA-N
MW359.71 g/mol
LogP5.32
Rot. Bonds4

About carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium

carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium (PubChem CID 58554792) has the molecular formula C17H36N2Zr-4 and a molecular weight of 359.71 g/mol. Its IUPAC name is carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium.

Molecular Properties

Compound Namecarbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium
PubChem CID58554792
Molecular FormulaC17H36N2Zr-4
Molecular Weight359.71 g/mol
Exact Mass358.19
IUPAC Namecarbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium
SMILESC[N-]N(C)C1CCCCC1CC1CCCC1.[CH3-].[CH3-].[CH3-].[Zr]
InChIInChI=1S/C14H27N2.3CH3.Zr/c1-15-16(2)14-10-6-5-9-13(14)11-12-7-3-4-8-12;;;;/h12-14H,3-11H2,1-2H3;3*1H3;/q4*-1;
InChIKeyPRBUTJUMFXDZFR-UHFFFAOYSA-N
XLogP5.32
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.71
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium?
The IUPAC name of carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium (CID 58554792) is carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium.
What is the SMILES notation for carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium?
The canonical SMILES for carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium is C[N-]N(C)C1CCCCC1CC1CCCC1.[CH3-].[CH3-].[CH3-].[Zr].
What is the InChIKey of carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium?
The InChIKey is PRBUTJUMFXDZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N2.3CH3.Zr/c1-15-16(2)14-10-6-5-9-13(14)11-12-7-3-4-8-12;;;;/h12-14H,3-11H2,1-2H3;3*1H3;/q4*-1;.
What are the key properties of carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium?
carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium has a molecular weight of 359.71 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[[2-(cyclopentylmethyl)cyclohexyl]-methylamino]-methylazanide;zirconium is sourced from PubChem (CID 58554792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).