(4Z)-4-nonylideneazepane

C15H29N — CID 103983668

IUPAC(4Z)-4-nonylideneazepane
SMILESCCCCCCCC/C=C1/CCCNCC1
InChIInChI=1S/C15H29N/c1-2-3-4-5-6-7-8-10-15-11-9-13-16-14-12-15/h10,16H,2-9,11-14H2,1H3/b15-10-
InChIKeyIAKNKLAMXCVTCZ-GDNBJRDFSA-N
MW223.40 g/mol
LogP4.44
Rot. Bonds7

About (4Z)-4-nonylideneazepane

(4Z)-4-nonylideneazepane (PubChem CID 103983668) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (4Z)-4-nonylideneazepane.

Molecular Properties

Compound Name(4Z)-4-nonylideneazepane
PubChem CID103983668
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(4Z)-4-nonylideneazepane
SMILESCCCCCCCC/C=C1/CCCNCC1
InChIInChI=1S/C15H29N/c1-2-3-4-5-6-7-8-10-15-11-9-13-16-14-12-15/h10,16H,2-9,11-14H2,1H3/b15-10-
InChIKeyIAKNKLAMXCVTCZ-GDNBJRDFSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.44
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-octylideneazepane
CID 103983605
4-hexylidenepiperidine;hydrochloride
CID 18963728
decylidenecyclobutane
CID 15365573
dodecylidenecyclobutane
CID 176570971
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-nonylideneazepane?
The IUPAC name of (4Z)-4-nonylideneazepane (CID 103983668) is (4Z)-4-nonylideneazepane.
What is the SMILES notation for (4Z)-4-nonylideneazepane?
The canonical SMILES for (4Z)-4-nonylideneazepane is CCCCCCCC/C=C1/CCCNCC1.
What is the InChIKey of (4Z)-4-nonylideneazepane?
The InChIKey is IAKNKLAMXCVTCZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-10-15-11-9-13-16-14-12-15/h10,16H,2-9,11-14H2,1H3/b15-10-.
What are the key properties of (4Z)-4-nonylideneazepane?
(4Z)-4-nonylideneazepane has a molecular weight of 223.40 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-nonylideneazepane is sourced from PubChem (CID 103983668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).