hept-6-enyl(trimethyl)azanium

C10H22N+ — CID 101375600

IUPAChept-6-enyl(trimethyl)azanium
SMILESC=CCCCCC[N+](C)(C)C
InChIInChI=1S/C10H22N/c1-5-6-7-8-9-10-11(2,3)4/h5H,1,6-10H2,2-4H3/q+1
InChIKeyISFSATFGZXVZSY-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.44
Rot. Bonds6

About hept-6-enyl(trimethyl)azanium

hept-6-enyl(trimethyl)azanium (PubChem CID 101375600) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is hept-6-enyl(trimethyl)azanium.

Molecular Properties

Compound Namehept-6-enyl(trimethyl)azanium
PubChem CID101375600
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Namehept-6-enyl(trimethyl)azanium
SMILESC=CCCCCC[N+](C)(C)C
InChIInChI=1S/C10H22N/c1-5-6-7-8-9-10-11(2,3)4/h5H,1,6-10H2,2-4H3/q+1
InChIKeyISFSATFGZXVZSY-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Octadecen-1-amine, N,N-dimethyl-
CID 119807
boranylformonitrile; N,N-dimethylhex-5-en-1-amine
CID 16661506
Trimethyl(pent-4-enyl)azanium
CID 22486
N,N-Dimethyl-10-undecen-1-amine
CID 6420901
N,N-Diethyl-4-penten-1-amine
CID 559585
Hexylamine, N,N-di(allyl)-
CID 21243726
Ammonium, 4-pentenyltrimethyl-, iodide
CID 22485
Ammonium, 5-hexenyltrimethyl-, iodide
CID 202893
N,N-dimethylpent-4-en-1-amine;hydrobromide
CID 49796713
N,N-dimethyl-5-hexene-1-amine
CID 16641201
Triethyl(undec-10-enyl)azanium
CID 11551730
N,N,N-Trimethylundec-10-en-1-aminium bromide
CID 17841486

Frequently Asked Questions

What is the IUPAC name of hept-6-enyl(trimethyl)azanium?
The IUPAC name of hept-6-enyl(trimethyl)azanium (CID 101375600) is hept-6-enyl(trimethyl)azanium.
What is the SMILES notation for hept-6-enyl(trimethyl)azanium?
The canonical SMILES for hept-6-enyl(trimethyl)azanium is C=CCCCCC[N+](C)(C)C.
What is the InChIKey of hept-6-enyl(trimethyl)azanium?
The InChIKey is ISFSATFGZXVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-5-6-7-8-9-10-11(2,3)4/h5H,1,6-10H2,2-4H3/q+1.
What are the key properties of hept-6-enyl(trimethyl)azanium?
hept-6-enyl(trimethyl)azanium has a molecular weight of 156.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-enyl(trimethyl)azanium is sourced from PubChem (CID 101375600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).