1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine

C13H20N2 — CID 20681042

IUPAC1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
SMILESC/N=C(\C)C1=C(C)C(C)=C(/C(C)=N/C)C1
InChIInChI=1S/C13H20N2/c1-8-9(2)13(11(4)15-6)7-12(8)10(3)14-5/h7H2,1-6H3/b14-10+,15-11+
InChIKeyAJECQHHUUVIVSZ-WFYKWJGLSA-N
MW204.32 g/mol
LogP3.20
Rot. Bonds2

About 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine

1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine (PubChem CID 20681042) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine.

Molecular Properties

Compound Name1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
PubChem CID20681042
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
SMILESC/N=C(\C)C1=C(C)C(C)=C(/C(C)=N/C)C1
InChIInChI=1S/C13H20N2/c1-8-9(2)13(11(4)15-6)7-12(8)10(3)14-5/h7H2,1-6H3/b14-10+,15-11+
InChIKeyAJECQHHUUVIVSZ-WFYKWJGLSA-N
XLogP3.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5,6,7-tetramethyl-2H-benzimidazole
CID 21034549
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746
1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine
CID 22979280
4-butyl-3,5-dimethyl-2H-pyrrole
CID 58851243
N-methyl-1,5,6,7,8,9-hexahydrocyclopenta[8]annulen-4-imine
CID 58862023
N,3,4,5,6-pentamethylhepta-3,5-dien-2-imine
CID 59366452
(3E,6E)-2-N,8-N,3,4,6,7-hexamethylnona-3,6-diene-2,8-diimine
CID 89900803
2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole
CID 90287552
(Z,4Z)-N,3-dimethyl-4-propylidenenon-2-en-5-imine
CID 90837045
N,4,5-trimethylhept-4-en-3-imine
CID 91220474
(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine
CID 91367652
N,2,3-trimethylnon-2-en-4-imine
CID 123601158

Frequently Asked Questions

What is the IUPAC name of 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine?
The IUPAC name of 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine (CID 20681042) is 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine.
What is the SMILES notation for 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine?
The canonical SMILES for 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine is C/N=C(\C)C1=C(C)C(C)=C(/C(C)=N/C)C1.
What is the InChIKey of 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine?
The InChIKey is AJECQHHUUVIVSZ-WFYKWJGLSA-N. The full InChI is InChI=1S/C13H20N2/c1-8-9(2)13(11(4)15-6)7-12(8)10(3)14-5/h7H2,1-6H3/b14-10+,15-11+.
What are the key properties of 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine?
1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine has a molecular weight of 204.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine is sourced from PubChem (CID 20681042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).