N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine

C13H17N — CID 143850618

IUPACN-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C(CCCC)/N=C1\C=CC=CC1=C
InChIInChI=1S/C13H17N/c1-4-5-9-12(3)14-13-10-7-6-8-11(13)2/h6-8,10H,2-5,9H2,1H3/b14-13+
InChIKeyQVVTWFBRUAXRIE-BUHFOSPRSA-N
MW187.29 g/mol
LogP3.81
Rot. Bonds4

About N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine

N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 143850618) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID143850618
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C(CCCC)/N=C1\C=CC=CC1=C
InChIInChI=1S/C13H17N/c1-4-5-9-12(3)14-13-10-7-6-8-11(13)2/h6-8,10H,2-5,9H2,1H3/b14-13+
InChIKeyQVVTWFBRUAXRIE-BUHFOSPRSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.81
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

(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737
N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 142320203
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
N-[(1E,3E)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]propan-2-imine
CID 156432690
N-[(2Z,6E,8E)-8-fluoro-6-methylundeca-2,6,8,10-tetraen-3-yl]propan-2-imine
CID 156544831
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
Dihydrocyclopenta[b]indole
CID 129801781
(3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole
CID 143358710
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040437
2-methyl-5H-indole
CID 18732311
Cyclopenta[c]carbazole
CID 21887219
7,10-dihydro-6H-benzo[b][1]benzazepine
CID 22063027

Frequently Asked Questions

What is the IUPAC name of N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine (CID 143850618) is N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine is C=C(CCCC)/N=C1\C=CC=CC1=C.
What is the InChIKey of N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is QVVTWFBRUAXRIE-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H17N/c1-4-5-9-12(3)14-13-10-7-6-8-11(13)2/h6-8,10H,2-5,9H2,1H3/b14-13+.
What are the key properties of N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine?
N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-en-2-yl-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 143850618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).