(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine

C14H28N2 — CID 6392818

IUPAC(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine
SMILESCCCC/C(CC)=N/N=C(\CC)CCCC
InChIInChI=1S/C14H28N2/c1-5-9-11-13(7-3)15-16-14(8-4)12-10-6-2/h5-12H2,1-4H3/b15-13+,16-14+
InChIKeyICWQGJYCOMTOTK-WXUKJITCSA-N
MW224.39 g/mol
LogP4.98
Rot. Bonds9

About (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine

(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine (PubChem CID 6392818) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine.

Molecular Properties

Compound Name(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine
PubChem CID6392818
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine
SMILESCCCC/C(CC)=N/N=C(\CC)CCCC
InChIInChI=1S/C14H28N2/c1-5-9-11-13(7-3)15-16-14(8-4)12-10-6-2/h5-12H2,1-4H3/b15-13+,16-14+
InChIKeyICWQGJYCOMTOTK-WXUKJITCSA-N
XLogP4.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyloctan-3-imine
CID 550941
N-trimethylsilylnonan-5-imine
CID 11063777
(E)-N-[(Z)-1,4-dimethoxybutan-2-ylideneamino]-1-methoxyhexan-2-imine
CID 54602333
N-(1-amino-10-hydroxyiminotetradecan-2-ylidene)hydroxylamine
CID 142657527
decan-5-ylidenehydrazine
CID 86114328
6-butyl-7-ethyltetradec-6-ene
CID 57142303
10-butyl-11-ethyldocos-10-ene
CID 57219160
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
5-ethyl-4-methylnon-4-ene
CID 143021471
N-methyl-N-(octan-3-ylideneamino)formamide
CID 71392671
nonan-4-ylidenehydrazine
CID 140571520
4,5-dibutyloct-4-ene-3,6-dione
CID 142732259

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine?
The IUPAC name of (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine (CID 6392818) is (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine.
What is the SMILES notation for (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine?
The canonical SMILES for (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine is CCCC/C(CC)=N/N=C(\CC)CCCC.
What is the InChIKey of (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine?
The InChIKey is ICWQGJYCOMTOTK-WXUKJITCSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-9-11-13(7-3)15-16-14(8-4)12-10-6-2/h5-12H2,1-4H3/b15-13+,16-14+.
What are the key properties of (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine?
(E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine has a molecular weight of 224.39 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-heptan-3-ylideneamino]heptan-3-imine is sourced from PubChem (CID 6392818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).