4-methylidene-N-propylcyclohexa-2,5-dien-1-imine

C10H13N — CID 59057512

IUPAC4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
SMILESC=C1C=CC(=NCCC)C=C1
InChIInChI=1S/C10H13N/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyHZOUZTUXTYBISH-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds2

About 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine

4-methylidene-N-propylcyclohexa-2,5-dien-1-imine (PubChem CID 59057512) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
PubChem CID59057512
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
SMILESC=C1C=CC(=NCCC)C=C1
InChIInChI=1S/C10H13N/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyHZOUZTUXTYBISH-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,7-dimethyl-2H-azepine
CID 21672374
(2R)-2,7-dimethyl-2H-azepine
CID 134989460
Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
3h-Quinoline
CID 22027752
2-methyl-2H-indole
CID 58371059
4-Methyl-2,3-dihydroquinoline
CID 68274032
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
(3Z)-3-[(2E)-2-fluorohexa-2,5-dienylidene]-6-methyl-2H-pyridine
CID 130413140
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 137506692

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine (CID 59057512) is 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine is C=C1C=CC(=NCCC)C=C1.
What is the InChIKey of 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine?
The InChIKey is HZOUZTUXTYBISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine?
4-methylidene-N-propylcyclohexa-2,5-dien-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-propylcyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 59057512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).