N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine

C12H17N — CID 143289392

IUPACN-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
SMILESC=C/C(C)=C\C(C(=C)C)=C(/C)N=C
InChIInChI=1S/C12H17N/c1-7-10(4)8-12(9(2)3)11(5)13-6/h7-8H,1-2,6H2,3-5H3/b10-8-,12-11-
InChIKeyMGOYYNYZALPNMM-SIBMFBDYSA-N
MW175.27 g/mol
LogP3.67
Rot. Bonds4

About N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine

N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine (PubChem CID 143289392) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
PubChem CID143289392
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine
SMILESC=C/C(C)=C\C(C(=C)C)=C(/C)N=C
InChIInChI=1S/C12H17N/c1-7-10(4)8-12(9(2)3)11(5)13-6/h7-8H,1-2,6H2,3-5H3/b10-8-,12-11-
InChIKeyMGOYYNYZALPNMM-SIBMFBDYSA-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'}

Analyze N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine with MolForge

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Related Compounds

2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
ethane;(3E)-4-(methylideneamino)penta-1,3-dien-3-ol
CID 143976518
N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]methanimine
CID 178001749
3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene
CID 170590567
N-[(1Z)-2-ethenyl-3-methyl-1-nitrobuta-1,3-dienyl]methanimine
CID 164858355
(3E,5E)-4,6-dimethyl-3-prop-1-en-2-ylocta-3,5,7-trien-2-one
CID 143377880
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 143646233
2-methylbuta-1,3-dienyl-λ2-plumbane
CID 173091187
(5Z)-2-amino-6-methylocta-2,5,7-trien-4-one
CID 163530566
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine (CID 143289392) is N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine is C=C/C(C)=C\C(C(=C)C)=C(/C)N=C.
What is the InChIKey of N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine?
The InChIKey is MGOYYNYZALPNMM-SIBMFBDYSA-N. The full InChI is InChI=1S/C12H17N/c1-7-10(4)8-12(9(2)3)11(5)13-6/h7-8H,1-2,6H2,3-5H3/b10-8-,12-11-.
What are the key properties of N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine?
N-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]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-[(2Z,4Z)-5-methyl-3-prop-1-en-2-ylhepta-2,4,6-trien-2-yl]methanimine is sourced from PubChem (CID 143289392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).