ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium

C9H18N4V — CID 157330663

IUPACethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium
SMILESCC.CN1C=CC(N)=NC12CNC2.[V]
InChIInChI=1S/C7H12N4.C2H6.V/c1-11-3-2-6(8)10-7(11)4-9-5-7;1-2;/h2-3,9H,4-5H2,1H3,(H2,8,10);1-2H3;
InChIKeyBFGBHELDUTYPIF-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.13
Rot. Bonds

About ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium

ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium (PubChem CID 157330663) has the molecular formula C9H18N4V and a molecular weight of 233.22 g/mol. Its IUPAC name is ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium.

Molecular Properties

Compound Nameethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium
PubChem CID157330663
Molecular FormulaC9H18N4V
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Nameethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium
SMILESCC.CN1C=CC(N)=NC12CNC2.[V]
InChIInChI=1S/C7H12N4.C2H6.V/c1-11-3-2-6(8)10-7(11)4-9-5-7;1-2;/h2-3,9H,4-5H2,1H3,(H2,8,10);1-2H3;
InChIKeyBFGBHELDUTYPIF-UHFFFAOYSA-N
XLogP0.13
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium?
The IUPAC name of ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium (CID 157330663) is ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium.
What is the SMILES notation for ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium?
The canonical SMILES for ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium is CC.CN1C=CC(N)=NC12CNC2.[V].
What is the InChIKey of ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium?
The InChIKey is BFGBHELDUTYPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.C2H6.V/c1-11-3-2-6(8)10-7(11)4-9-5-7;1-2;/h2-3,9H,4-5H2,1H3,(H2,8,10);1-2H3;.
What are the key properties of ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium?
ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium has a molecular weight of 233.22 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-2,5,9-triazaspiro[3.5]nona-5,7-dien-6-amine;vanadium is sourced from PubChem (CID 157330663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).