hept-4-enylazanium

C7H16N+ — CID 148945240

IUPAChept-4-enylazanium
SMILESCCC=CCCC[NH3+]
InChIInChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h3-4H,2,5-8H2,1H3/p+1
InChIKeyPOUPCZHZTRCNFE-UHFFFAOYSA-O
MW114.21 g/mol
LogP0.97
Rot. Bonds4

About hept-4-enylazanium

hept-4-enylazanium (PubChem CID 148945240) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is hept-4-enylazanium.

Molecular Properties

Compound Namehept-4-enylazanium
PubChem CID148945240
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Namehept-4-enylazanium
SMILESCCC=CCCC[NH3+]
InChIInChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h3-4H,2,5-8H2,1H3/p+1
InChIKeyPOUPCZHZTRCNFE-UHFFFAOYSA-O
XLogP0.97
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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

(3E,16E)-nonadeca-3,16-diene
CID 157471321
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(E)-non-3-ene
CID 5364445
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(2Z,7Z)-deca-2,7-diene
CID 6429619
(Z)-hept-4-en-1-ol
CID 5367536
(Z)-7-chlorohept-3-ene
CID 12513367
(E)-octadec-3-ene
CID 5365984

Frequently Asked Questions

What is the IUPAC name of hept-4-enylazanium?
The IUPAC name of hept-4-enylazanium (CID 148945240) is hept-4-enylazanium.
What is the SMILES notation for hept-4-enylazanium?
The canonical SMILES for hept-4-enylazanium is CCC=CCCC[NH3+].
What is the InChIKey of hept-4-enylazanium?
The InChIKey is POUPCZHZTRCNFE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h3-4H,2,5-8H2,1H3/p+1.
What are the key properties of hept-4-enylazanium?
hept-4-enylazanium has a molecular weight of 114.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-4-enylazanium is sourced from PubChem (CID 148945240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).