N-(6-methylhepta-1,3,5-trien-2-yl)methanimine

C9H13N — CID 123592729

IUPACN-(6-methylhepta-1,3,5-trien-2-yl)methanimine
SMILESC=NC(=C)C=CC=C(C)C
InChIInChI=1S/C9H13N/c1-8(2)6-5-7-9(3)10-4/h5-7H,3-4H2,1-2H3
InChIKeyHBJCRRKWPHMUCA-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.72
Rot. Bonds3

About N-(6-methylhepta-1,3,5-trien-2-yl)methanimine

N-(6-methylhepta-1,3,5-trien-2-yl)methanimine (PubChem CID 123592729) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-(6-methylhepta-1,3,5-trien-2-yl)methanimine.

Molecular Properties

Compound NameN-(6-methylhepta-1,3,5-trien-2-yl)methanimine
PubChem CID123592729
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-(6-methylhepta-1,3,5-trien-2-yl)methanimine
SMILESC=NC(=C)C=CC=C(C)C
InChIInChI=1S/C9H13N/c1-8(2)6-5-7-9(3)10-4/h5-7H,3-4H2,1-2H3
InChIKeyHBJCRRKWPHMUCA-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.72
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-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine
CID 163633243
N-penta-1,3-dien-2-ylmethanimine
CID 86063273
1-(dimethyl-lambda3-iodanyl)-N-[(3E)-hexa-1,3,5-trien-3-yl]methanimine
CID 88560391
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimine
CID 88986031
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
N-[(2Z)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 89899366
N-hexa-1,3,5-trien-2-ylmethanimine
CID 90786608
N-penta-2,4-dien-2-ylmethanimine
CID 91009510
Hexa-2,4-dien-2-yl-methyl-methylideneazanium
CID 91469582
N-[(3E)-penta-1,3-dien-2-yl]methanimine
CID 101767236
N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
CID 118616451
N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
CID 123154101

Frequently Asked Questions

What is the IUPAC name of N-(6-methylhepta-1,3,5-trien-2-yl)methanimine?
The IUPAC name of N-(6-methylhepta-1,3,5-trien-2-yl)methanimine (CID 123592729) is N-(6-methylhepta-1,3,5-trien-2-yl)methanimine.
What is the SMILES notation for N-(6-methylhepta-1,3,5-trien-2-yl)methanimine?
The canonical SMILES for N-(6-methylhepta-1,3,5-trien-2-yl)methanimine is C=NC(=C)C=CC=C(C)C.
What is the InChIKey of N-(6-methylhepta-1,3,5-trien-2-yl)methanimine?
The InChIKey is HBJCRRKWPHMUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8(2)6-5-7-9(3)10-4/h5-7H,3-4H2,1-2H3.
What are the key properties of N-(6-methylhepta-1,3,5-trien-2-yl)methanimine?
N-(6-methylhepta-1,3,5-trien-2-yl)methanimine has a molecular weight of 135.21 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylhepta-1,3,5-trien-2-yl)methanimine is sourced from PubChem (CID 123592729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).