carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)

C19H39HfN3 — CID 153433949

IUPACcarbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)
SMILESCC(C)[N-]CCCCC1=CC=CC1.CC[N-]C.CC[N-]C.[CH3-].[Hf+4]
InChIInChI=1S/C12H20N.2C3H8N.CH3.Hf/c1-11(2)13-10-6-5-9-12-7-3-4-8-12;2*1-3-4-2;;/h3-4,7,11H,5-6,8-10H2,1-2H3;2*3H2,1-2H3;1H3;/q4*-1;+4
InChIKeyGCLOGMOMQGWZDO-UHFFFAOYSA-N
MW488.03 g/mol
LogP6.29
Rot. Bonds8

About carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)

carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+) (PubChem CID 153433949) has the molecular formula C19H39HfN3 and a molecular weight of 488.03 g/mol. Its IUPAC name is carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+).

Molecular Properties

Compound Namecarbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)
PubChem CID153433949
Molecular FormulaC19H39HfN3
Molecular Weight488.03 g/mol
Exact Mass489.26
IUPAC Namecarbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)
SMILESCC(C)[N-]CCCCC1=CC=CC1.CC[N-]C.CC[N-]C.[CH3-].[Hf+4]
InChIInChI=1S/C12H20N.2C3H8N.CH3.Hf/c1-11(2)13-10-6-5-9-12-7-3-4-8-12;2*1-3-4-2;;/h3-4,7,11H,5-6,8-10H2,1-2H3;2*3H2,1-2H3;1H3;/q4*-1;+4
InChIKeyGCLOGMOMQGWZDO-UHFFFAOYSA-N
XLogP6.29
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)?
The IUPAC name of carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+) (CID 153433949) is carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+).
What is the SMILES notation for carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)?
The canonical SMILES for carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+) is CC(C)[N-]CCCCC1=CC=CC1.CC[N-]C.CC[N-]C.[CH3-].[Hf+4].
What is the InChIKey of carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)?
The InChIKey is GCLOGMOMQGWZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.2C3H8N.CH3.Hf/c1-11(2)13-10-6-5-9-12-7-3-4-8-12;2*1-3-4-2;;/h3-4,7,11H,5-6,8-10H2,1-2H3;2*3H2,1-2H3;1H3;/q4*-1;+4.
What are the key properties of carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+)?
carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+) has a molecular weight of 488.03 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-cyclopenta-1,3-dien-1-ylbutyl(propan-2-yl)azanide;ethyl(methyl)azanide;hafnium(4+) is sourced from PubChem (CID 153433949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).