N-[(E)-hept-3-en-4-yl]heptan-4-imine

C14H27N — CID 135049490

IUPACN-[(E)-hept-3-en-4-yl]heptan-4-imine
SMILESCC/C=C(\CCC)N=C(CCC)CCC
InChIInChI=1S/C14H27N/c1-5-9-13(10-6-2)15-14(11-7-3)12-8-4/h9H,5-8,10-12H2,1-4H3/b13-9+
InChIKeyJNTVOHCVTHGVNT-UKTHLTGXSA-N
MW209.38 g/mol
LogP5.12
Rot. Bonds8

About N-[(E)-hept-3-en-4-yl]heptan-4-imine

N-[(E)-hept-3-en-4-yl]heptan-4-imine (PubChem CID 135049490) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(E)-hept-3-en-4-yl]heptan-4-imine.

Molecular Properties

Compound NameN-[(E)-hept-3-en-4-yl]heptan-4-imine
PubChem CID135049490
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(E)-hept-3-en-4-yl]heptan-4-imine
SMILESCC/C=C(\CCC)N=C(CCC)CCC
InChIInChI=1S/C14H27N/c1-5-9-13(10-6-2)15-14(11-7-3)12-8-4/h9H,5-8,10-12H2,1-4H3/b13-9+
InChIKeyJNTVOHCVTHGVNT-UKTHLTGXSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-hept-3-en-4-yl]heptan-4-imine?
The IUPAC name of N-[(E)-hept-3-en-4-yl]heptan-4-imine (CID 135049490) is N-[(E)-hept-3-en-4-yl]heptan-4-imine.
What is the SMILES notation for N-[(E)-hept-3-en-4-yl]heptan-4-imine?
The canonical SMILES for N-[(E)-hept-3-en-4-yl]heptan-4-imine is CC/C=C(\CCC)N=C(CCC)CCC.
What is the InChIKey of N-[(E)-hept-3-en-4-yl]heptan-4-imine?
The InChIKey is JNTVOHCVTHGVNT-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H27N/c1-5-9-13(10-6-2)15-14(11-7-3)12-8-4/h9H,5-8,10-12H2,1-4H3/b13-9+.
What are the key properties of N-[(E)-hept-3-en-4-yl]heptan-4-imine?
N-[(E)-hept-3-en-4-yl]heptan-4-imine has a molecular weight of 209.38 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-hept-3-en-4-yl]heptan-4-imine is sourced from PubChem (CID 135049490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).