hexylideneazanium

C6H14N+ — CID 57168326

IUPAChexylideneazanium
SMILESCCCCCC=[NH2+]
InChIInChI=1S/C6H13N/c1-2-3-4-5-6-7/h6-7H,2-5H2,1H3/p+1
InChIKeySNWZOWCCZGQOGX-UHFFFAOYSA-O
MW100.18 g/mol
LogP0.40
Rot. Bonds4

About hexylideneazanium

hexylideneazanium (PubChem CID 57168326) has the molecular formula C6H14N+ and a molecular weight of 100.18 g/mol. Its IUPAC name is hexylideneazanium.

Molecular Properties

Compound Namehexylideneazanium
PubChem CID57168326
Molecular FormulaC6H14N+
Molecular Weight100.18 g/mol
Exact Mass100.11
IUPAC Namehexylideneazanium
SMILESCCCCCC=[NH2+]
InChIInChI=1S/C6H13N/c1-2-3-4-5-6-7/h6-7H,2-5H2,1H3/p+1
InChIKeySNWZOWCCZGQOGX-UHFFFAOYSA-O
XLogP0.40
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074

Frequently Asked Questions

What is the IUPAC name of hexylideneazanium?
The IUPAC name of hexylideneazanium (CID 57168326) is hexylideneazanium.
What is the SMILES notation for hexylideneazanium?
The canonical SMILES for hexylideneazanium is CCCCCC=[NH2+].
What is the InChIKey of hexylideneazanium?
The InChIKey is SNWZOWCCZGQOGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N/c1-2-3-4-5-6-7/h6-7H,2-5H2,1H3/p+1.
What are the key properties of hexylideneazanium?
hexylideneazanium has a molecular weight of 100.18 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexylideneazanium is sourced from PubChem (CID 57168326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).