cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)

C14H29N3Zr — CID 176895517

IUPACcyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)
SMILESCCCN(C)C.C[N-]C.C[N-]CC1=CC=CC1.[Zr+2]
InChIInChI=1S/C7H10N.C5H13N.C2H6N.Zr/c1-8-6-7-4-2-3-5-7;1-4-5-6(2)3;1-3-2;/h2-4H,5-6H2,1H3;4-5H2,1-3H3;1-2H3;/q-1;;-1;+2
InChIKeyRSVYHRSYWGLGCK-UHFFFAOYSA-N
MW330.63 g/mol
LogP3.45
Rot. Bonds4

About cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)

cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+) (PubChem CID 176895517) has the molecular formula C14H29N3Zr and a molecular weight of 330.63 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)
PubChem CID176895517
Molecular FormulaC14H29N3Zr
Molecular Weight330.63 g/mol
Exact Mass329.14
IUPAC Namecyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)
SMILESCCCN(C)C.C[N-]C.C[N-]CC1=CC=CC1.[Zr+2]
InChIInChI=1S/C7H10N.C5H13N.C2H6N.Zr/c1-8-6-7-4-2-3-5-7;1-4-5-6(2)3;1-3-2;/h2-4H,5-6H2,1H3;4-5H2,1-3H3;1-2H3;/q-1;;-1;+2
InChIKeyRSVYHRSYWGLGCK-UHFFFAOYSA-N
XLogP3.45
TPSA31.44 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.63
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+) with MolForge

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Ferrocene, ((dimethylamino)methyl)-
CID 16211226
(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 12982239
2-(Cyclooctatetraenyl)ethyl-trimethylazanium
CID 91292553
(Z,4E)-4-(fluoromethylidene)-N,N-dimethyl-2-prop-1-en-2-ylhex-2-en-1-amine
CID 146499610
(2E)-2-[(E)-3-fluorobut-2-en-2-yl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 155261002
2-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine
CID 12161648
C14H20FeIN
CID 44719007
(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate
CID 134965715
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;palladium(2+)
CID 138962357

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)?
The IUPAC name of cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+) (CID 176895517) is cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+).
What is the SMILES notation for cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)?
The canonical SMILES for cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+) is CCCN(C)C.C[N-]C.C[N-]CC1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)?
The InChIKey is RSVYHRSYWGLGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N.C5H13N.C2H6N.Zr/c1-8-6-7-4-2-3-5-7;1-4-5-6(2)3;1-3-2;/h2-4H,5-6H2,1H3;4-5H2,1-3H3;1-2H3;/q-1;;-1;+2.
What are the key properties of cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+)?
cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+) has a molecular weight of 330.63 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylmethyl(methyl)azanide;dimethylazanide;N,N-dimethylpropan-1-amine;zirconium(2+) is sourced from PubChem (CID 176895517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).