N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine

C12H17N — CID 123310064

IUPACN-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine
SMILESC=CC=C(C=C(C)C)C(C)=CN=C
InChIInChI=1S/C12H17N/c1-6-7-12(8-10(2)3)11(4)9-13-5/h6-9H,1,5H2,2-4H3
InChIKeyFXILBOQTTJIYKL-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.67
Rot. Bonds4

About N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine

N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine (PubChem CID 123310064) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine
PubChem CID123310064
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine
SMILESC=CC=C(C=C(C)C)C(C)=CN=C
InChIInChI=1S/C12H17N/c1-6-7-12(8-10(2)3)11(4)9-13-5/h6-9H,1,5H2,2-4H3
InChIKeyFXILBOQTTJIYKL-UHFFFAOYSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 139386678
N-[(1E,3Z)-2-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 143467349
(1Z,3Z)-N-fluoro-N,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine
CID 144028494
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803
N-[(1E,3Z,5Z)-5-(2,2-difluoroethyl)-3-(1-fluoroethyl)octa-1,3,5-trienyl]methanimine
CID 155442270
N-[(1Z,3E)-5-fluoro-2,4-dimethylpenta-1,3-dienyl]methanimine
CID 171633095
2-Propenyl-pentadienyl-dimethylamin
CID 129649470

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine?
The IUPAC name of N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine (CID 123310064) is N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine.
What is the SMILES notation for N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine?
The canonical SMILES for N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine is C=CC=C(C=C(C)C)C(C)=CN=C.
What is the InChIKey of N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine?
The InChIKey is FXILBOQTTJIYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-6-7-12(8-10(2)3)11(4)9-13-5/h6-9H,1,5H2,2-4H3.
What are the key properties of N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine?
N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine has a molecular weight of 175.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methylprop-1-enyl)hexa-1,3,5-trienyl]methanimine is sourced from PubChem (CID 123310064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).