5-aminohept-6-enyl(trimethyl)azanium

C10H23N2+ — CID 166766167

IUPAC5-aminohept-6-enyl(trimethyl)azanium
SMILESC=CC(N)CCCC[N+](C)(C)C
InChIInChI=1S/C10H23N2/c1-5-10(11)8-6-7-9-12(2,3)4/h5,10H,1,6-9,11H2,2-4H3/q+1
InChIKeyUPVRKAQVUWCULJ-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.38
Rot. Bonds6

About 5-aminohept-6-enyl(trimethyl)azanium

5-aminohept-6-enyl(trimethyl)azanium (PubChem CID 166766167) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is 5-aminohept-6-enyl(trimethyl)azanium.

Molecular Properties

Compound Name5-aminohept-6-enyl(trimethyl)azanium
PubChem CID166766167
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Name5-aminohept-6-enyl(trimethyl)azanium
SMILESC=CC(N)CCCC[N+](C)(C)C
InChIInChI=1S/C10H23N2/c1-5-10(11)8-6-7-9-12(2,3)4/h5,10H,1,6-9,11H2,2-4H3/q+1
InChIKeyUPVRKAQVUWCULJ-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.38
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-7-methyloct-1-en-3-amine
CID 144823363
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
[(5S)-5-amino-5-carboxypentyl]-trimethylazanium;hydrochloride
CID 174771032
(3S)-5-methylsulfanylpent-1-en-3-amine
CID 88911302
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl(7-methylnonyl)azanium
CID 54435403
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
aminomethyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium
CID 173080790

Frequently Asked Questions

What is the IUPAC name of 5-aminohept-6-enyl(trimethyl)azanium?
The IUPAC name of 5-aminohept-6-enyl(trimethyl)azanium (CID 166766167) is 5-aminohept-6-enyl(trimethyl)azanium.
What is the SMILES notation for 5-aminohept-6-enyl(trimethyl)azanium?
The canonical SMILES for 5-aminohept-6-enyl(trimethyl)azanium is C=CC(N)CCCC[N+](C)(C)C.
What is the InChIKey of 5-aminohept-6-enyl(trimethyl)azanium?
The InChIKey is UPVRKAQVUWCULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2/c1-5-10(11)8-6-7-9-12(2,3)4/h5,10H,1,6-9,11H2,2-4H3/q+1.
What are the key properties of 5-aminohept-6-enyl(trimethyl)azanium?
5-aminohept-6-enyl(trimethyl)azanium has a molecular weight of 171.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminohept-6-enyl(trimethyl)azanium is sourced from PubChem (CID 166766167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).