1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine

C9H14N2 — CID 90179713

IUPAC1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine
SMILES[H]/N=C/C1=CCC=C1CN(C)C
InChIInChI=1S/C9H14N2/c1-11(2)7-9-5-3-4-8(9)6-10/h4-6,10H,3,7H2,1-2H3/b10-6+
InChIKeyHUNVEZZZVLDLSV-UXBLZVDNSA-N
MW150.22 g/mol
LogP1.45
Rot. Bonds3

About 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine

1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 90179713) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID90179713
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine
SMILES[H]/N=C/C1=CCC=C1CN(C)C
InChIInChI=1S/C9H14N2/c1-11(2)7-9-5-3-4-8(9)6-10/h4-6,10H,3,7H2,1-2H3/b10-6+
InChIKeyHUNVEZZZVLDLSV-UXBLZVDNSA-N
XLogP1.45
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine (CID 90179713) is 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine is [H]/N=C/C1=CCC=C1CN(C)C.
What is the InChIKey of 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is HUNVEZZZVLDLSV-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N2/c1-11(2)7-9-5-3-4-8(9)6-10/h4-6,10H,3,7H2,1-2H3/b10-6+.
What are the key properties of 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine?
1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 150.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methanimidoylcyclopenta-1,4-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 90179713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).