7-aminohept-3-enylazanium

C7H17N2+ — CID 163603565

IUPAC7-aminohept-3-enylazanium
SMILESNCCCC=CCC[NH3+]
InChIInChI=1S/C7H16N2/c8-6-4-2-1-3-5-7-9/h1-2H,3-9H2/p+1
InChIKeyGZVIKXWCJWJPFM-UHFFFAOYSA-O
MW129.23 g/mol
LogP-0.09
Rot. Bonds5

About 7-aminohept-3-enylazanium

7-aminohept-3-enylazanium (PubChem CID 163603565) has the molecular formula C7H17N2+ and a molecular weight of 129.23 g/mol. Its IUPAC name is 7-aminohept-3-enylazanium.

Molecular Properties

Compound Name7-aminohept-3-enylazanium
PubChem CID163603565
Molecular FormulaC7H17N2+
Molecular Weight129.23 g/mol
Exact Mass129.14
IUPAC Name7-aminohept-3-enylazanium
SMILESNCCCC=CCC[NH3+]
InChIInChI=1S/C7H16N2/c8-6-4-2-1-3-5-7-9/h1-2H,3-9H2/p+1
InChIKeyGZVIKXWCJWJPFM-UHFFFAOYSA-O
XLogP-0.09
TPSA53.66 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
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

tetradec-7-ene-1,14-diamine
CID 91430908
(E)-pent-1-ene-1,5-diamine
CID 87610087
5-dimethoxysilylpent-4-en-1-amine
CID 163467135
hexadec-4-en-1-amine
CID 123939288
(E)-6-trimethylsilylhex-4-en-1-amine
CID 13434271
(E)-8-aminooct-4-enoic acid
CID 6365538
(Z)-10-aminodec-5-en-1-ol
CID 10910016
hexatriacont-9-en-1-amine
CID 154086335
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
pentadec-12-en-1-amine
CID 174557378
(Z)-triacont-9-en-1-amine
CID 139626552

Frequently Asked Questions

What is the IUPAC name of 7-aminohept-3-enylazanium?
The IUPAC name of 7-aminohept-3-enylazanium (CID 163603565) is 7-aminohept-3-enylazanium.
What is the SMILES notation for 7-aminohept-3-enylazanium?
The canonical SMILES for 7-aminohept-3-enylazanium is NCCCC=CCC[NH3+].
What is the InChIKey of 7-aminohept-3-enylazanium?
The InChIKey is GZVIKXWCJWJPFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H16N2/c8-6-4-2-1-3-5-7-9/h1-2H,3-9H2/p+1.
What are the key properties of 7-aminohept-3-enylazanium?
7-aminohept-3-enylazanium has a molecular weight of 129.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminohept-3-enylazanium is sourced from PubChem (CID 163603565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).