N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine

C13H23N — CID 126735951

IUPACN-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine
SMILESC=NC(C)/C(C)=C/CC=C(CC)CC
InChIInChI=1S/C13H23N/c1-6-13(7-2)10-8-9-11(3)12(4)14-5/h9-10,12H,5-8H2,1-4H3/b11-9+
InChIKeyGPMRHDANNXEVMH-PKNBQFBNSA-N
MW193.33 g/mol
LogP4.16
Rot. Bonds6

About N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine

N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine (PubChem CID 126735951) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine
PubChem CID126735951
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine
SMILESC=NC(C)/C(C)=C/CC=C(CC)CC
InChIInChI=1S/C13H23N/c1-6-13(7-2)10-8-9-11(3)12(4)14-5/h9-10,12H,5-8H2,1-4H3/b11-9+
InChIKeyGPMRHDANNXEVMH-PKNBQFBNSA-N
XLogP4.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.16
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-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine?
The IUPAC name of N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine (CID 126735951) is N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine.
What is the SMILES notation for N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine?
The canonical SMILES for N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine is C=NC(C)/C(C)=C/CC=C(CC)CC.
What is the InChIKey of N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine?
The InChIKey is GPMRHDANNXEVMH-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H23N/c1-6-13(7-2)10-8-9-11(3)12(4)14-5/h9-10,12H,5-8H2,1-4H3/b11-9+.
What are the key properties of N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine?
N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine has a molecular weight of 193.33 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine is sourced from PubChem (CID 126735951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).