N-(4-methylhepta-1,2,6-trien-3-yl)methanimine

C9H13N — CID 129060280

IUPACN-(4-methylhepta-1,2,6-trien-3-yl)methanimine
SMILESC=C=C(N=C)C(C)CC=C
InChIInChI=1S/C9H13N/c1-5-7-8(3)9(6-2)10-4/h5,8H,1-2,4,7H2,3H3
InChIKeyPSLOKBOTNNXUSR-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.57
Rot. Bonds4

About N-(4-methylhepta-1,2,6-trien-3-yl)methanimine

N-(4-methylhepta-1,2,6-trien-3-yl)methanimine (PubChem CID 129060280) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-(4-methylhepta-1,2,6-trien-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-methylhepta-1,2,6-trien-3-yl)methanimine
PubChem CID129060280
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-(4-methylhepta-1,2,6-trien-3-yl)methanimine
SMILESC=C=C(N=C)C(C)CC=C
InChIInChI=1S/C9H13N/c1-5-7-8(3)9(6-2)10-4/h5,8H,1-2,4,7H2,3H3
InChIKeyPSLOKBOTNNXUSR-UHFFFAOYSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylhepta-1,2,6-trien-3-yl)methanimine?
The IUPAC name of N-(4-methylhepta-1,2,6-trien-3-yl)methanimine (CID 129060280) is N-(4-methylhepta-1,2,6-trien-3-yl)methanimine.
What is the SMILES notation for N-(4-methylhepta-1,2,6-trien-3-yl)methanimine?
The canonical SMILES for N-(4-methylhepta-1,2,6-trien-3-yl)methanimine is C=C=C(N=C)C(C)CC=C.
What is the InChIKey of N-(4-methylhepta-1,2,6-trien-3-yl)methanimine?
The InChIKey is PSLOKBOTNNXUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-5-7-8(3)9(6-2)10-4/h5,8H,1-2,4,7H2,3H3.
What are the key properties of N-(4-methylhepta-1,2,6-trien-3-yl)methanimine?
N-(4-methylhepta-1,2,6-trien-3-yl)methanimine has a molecular weight of 135.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhepta-1,2,6-trien-3-yl)methanimine is sourced from PubChem (CID 129060280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).