(4Z)-4-octylideneazepane

C14H27N — CID 103983605

IUPAC(4Z)-4-octylideneazepane
SMILESCCCCCCC/C=C1/CCCNCC1
InChIInChI=1S/C14H27N/c1-2-3-4-5-6-7-9-14-10-8-12-15-13-11-14/h9,15H,2-8,10-13H2,1H3/b14-9-
InChIKeyGKASZEUXVPYFRP-ZROIWOOFSA-N
MW209.38 g/mol
LogP4.05
Rot. Bonds6

About (4Z)-4-octylideneazepane

(4Z)-4-octylideneazepane (PubChem CID 103983605) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (4Z)-4-octylideneazepane.

Molecular Properties

Compound Name(4Z)-4-octylideneazepane
PubChem CID103983605
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(4Z)-4-octylideneazepane
SMILESCCCCCCC/C=C1/CCCNCC1
InChIInChI=1S/C14H27N/c1-2-3-4-5-6-7-9-14-10-8-12-15-13-11-14/h9,15H,2-8,10-13H2,1H3/b14-9-
InChIKeyGKASZEUXVPYFRP-ZROIWOOFSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-nonylideneazepane
CID 103983668
4-hexylidenepiperidine;hydrochloride
CID 18963728
dodecylidenecyclobutane
CID 176570971
decylidenecyclobutane
CID 15365573
hexylidenecyclobutane
CID 86127710
3-octylidenepyrrolidine
CID 79879694
(3E)-3-dodecylidenepyrrolidine
CID 134081400
heptadecylidenecyclopropane
CID 19760704
4-butylidenepiperidine
CID 14966659
pentylidenecyclopentadecane
CID 151655236
(4Z)-4-(4,4,4-trifluorobutylidene)azepane
CID 103983649
non-1-ene;pyrrolidine
CID 67533369

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-octylideneazepane?
The IUPAC name of (4Z)-4-octylideneazepane (CID 103983605) is (4Z)-4-octylideneazepane.
What is the SMILES notation for (4Z)-4-octylideneazepane?
The canonical SMILES for (4Z)-4-octylideneazepane is CCCCCCC/C=C1/CCCNCC1.
What is the InChIKey of (4Z)-4-octylideneazepane?
The InChIKey is GKASZEUXVPYFRP-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H27N/c1-2-3-4-5-6-7-9-14-10-8-12-15-13-11-14/h9,15H,2-8,10-13H2,1H3/b14-9-.
What are the key properties of (4Z)-4-octylideneazepane?
(4Z)-4-octylideneazepane has a molecular weight of 209.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-octylideneazepane is sourced from PubChem (CID 103983605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).