cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)

C16H29N2Y — CID 164523944

IUPACcyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)
SMILESCC(C)C/N=[C-]\NC(C)C.C[CH-]C.[C-]1=CC=CC1.[Y+3]
InChIInChI=1S/C8H17N2.C5H5.C3H7.Y/c1-7(2)5-9-6-10-8(3)4;1-2-4-5-3-1;1-3-2;/h7-8H,5H2,1-4H3,(H,9,10);1-3H,4H2;3H,1-2H3;/q3*-1;+3
InChIKeyFMNXZOMGEFWXQV-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.08
Rot. Bonds4

About cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)

cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+) (PubChem CID 164523944) has the molecular formula C16H29N2Y and a molecular weight of 338.33 g/mol. Its IUPAC name is cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)
PubChem CID164523944
Molecular FormulaC16H29N2Y
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Namecyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)
SMILESCC(C)C/N=[C-]\NC(C)C.C[CH-]C.[C-]1=CC=CC1.[Y+3]
InChIInChI=1S/C8H17N2.C5H5.C3H7.Y/c1-7(2)5-9-6-10-8(3)4;1-2-4-5-3-1;1-3-2;/h7-8H,5H2,1-4H3,(H,9,10);1-3H,4H2;3H,1-2H3;/q3*-1;+3
InChIKeyFMNXZOMGEFWXQV-UHFFFAOYSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+) with MolForge

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Related Compounds

5-[(1Z)-buta-1,3-dienyl]-4,5-dihydro-1H-imidazole;ethane
CID 143686131
1,3-Di(cyclopenta-2,4-dien-1-yl)-2-(cyclopenta-2,4-dien-1-ylmethyl)guanidine
CID 101432266
N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide
CID 102040605
2-Cyclopenta-2,4-dien-1-yl-1,3-di(propan-2-yl)guanidine
CID 132937874

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)?
The IUPAC name of cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+) (CID 164523944) is cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+).
What is the SMILES notation for cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)?
The canonical SMILES for cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+) is CC(C)C/N=[C-]\NC(C)C.C[CH-]C.[C-]1=CC=CC1.[Y+3].
What is the InChIKey of cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)?
The InChIKey is FMNXZOMGEFWXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2.C5H5.C3H7.Y/c1-7(2)5-9-6-10-8(3)4;1-2-4-5-3-1;1-3-2;/h7-8H,5H2,1-4H3,(H,9,10);1-3H,4H2;3H,1-2H3;/q3*-1;+3.
What are the key properties of cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+)?
cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+) has a molecular weight of 338.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;N-(2-methylpropyliminomethyl)propan-2-amine;propane;yttrium(3+) is sourced from PubChem (CID 164523944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).