N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine

C10H13N — CID 129310416

IUPACN-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine
SMILESC=CC=C=C(C)/C(=C\C)N=C
InChIInChI=1S/C10H13N/c1-5-7-8-9(3)10(6-2)11-4/h5-7H,1,4H2,2-3H3/b10-6+
InChIKeyGEHUAXFJXCIOCX-UXBLZVDNSA-N
MW147.22 g/mol
LogP2.88
Rot. Bonds3

About N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine

N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine (PubChem CID 129310416) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine.

Molecular Properties

Compound NameN-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine
PubChem CID129310416
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine
SMILESC=CC=C=C(C)/C(=C\C)N=C
InChIInChI=1S/C10H13N/c1-5-7-8-9(3)10(6-2)11-4/h5-7H,1,4H2,2-3H3/b10-6+
InChIKeyGEHUAXFJXCIOCX-UXBLZVDNSA-N
XLogP2.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine?
The IUPAC name of N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine (CID 129310416) is N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine.
What is the SMILES notation for N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine?
The canonical SMILES for N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine is C=CC=C=C(C)/C(=C\C)N=C.
What is the InChIKey of N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine?
The InChIKey is GEHUAXFJXCIOCX-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H13N/c1-5-7-8-9(3)10(6-2)11-4/h5-7H,1,4H2,2-3H3/b10-6+.
What are the key properties of N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine?
N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-methylocta-2,4,5,7-tetraen-3-yl]methanimine is sourced from PubChem (CID 129310416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).