6-methylhept-5-en-2-yl-methylidene-pentylazanium

C14H28N+ — CID 178080500

IUPAC6-methylhept-5-en-2-yl-methylidene-pentylazanium
SMILESC=[N+](CCCCC)C(C)CCC=C(C)C
InChIInChI=1S/C14H28N/c1-6-7-8-12-15(5)14(4)11-9-10-13(2)3/h10,14H,5-9,11-12H2,1-4H3/q+1
InChIKeyHSHLFZYSYPWRIF-UHFFFAOYSA-N
MW210.38 g/mol
LogP4.02
Rot. Bonds8

About 6-methylhept-5-en-2-yl-methylidene-pentylazanium

6-methylhept-5-en-2-yl-methylidene-pentylazanium (PubChem CID 178080500) has the molecular formula C14H28N+ and a molecular weight of 210.38 g/mol. Its IUPAC name is 6-methylhept-5-en-2-yl-methylidene-pentylazanium.

Molecular Properties

Compound Name6-methylhept-5-en-2-yl-methylidene-pentylazanium
PubChem CID178080500
Molecular FormulaC14H28N+
Molecular Weight210.38 g/mol
Exact Mass210.22
IUPAC Name6-methylhept-5-en-2-yl-methylidene-pentylazanium
SMILESC=[N+](CCCCC)C(C)CCC=C(C)C
InChIInChI=1S/C14H28N/c1-6-7-8-12-15(5)14(4)11-9-10-13(2)3/h10,14H,5-9,11-12H2,1-4H3/q+1
InChIKeyHSHLFZYSYPWRIF-UHFFFAOYSA-N
XLogP4.02
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
1-Diethylamino-4-methyl-4-hexen
CID 129808165
4-Butyl-1,2-dimethyl-2,5-dihydropyrrole
CID 15505992
2-[2-(N,N-diethylamino)ethyl]-6-methyl-1,5-heptadiene
CID 129777816
1-(6-methylhept-5-enyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 134837657
1-Methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium
CID 3125820
1-(6-Methylhept-5-en-2-yl)piperidine
CID 3803890
(E)-3-ethyl-N,N-dimethylhept-3-en-1-amine
CID 13212925
(5Z)-1,5-dimethyl-3,4,7,8-tetrahydro-2H-azocine
CID 22950918
N-(2-cyclohexa-1,4-dien-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 57077846

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-5-en-2-yl-methylidene-pentylazanium?
The IUPAC name of 6-methylhept-5-en-2-yl-methylidene-pentylazanium (CID 178080500) is 6-methylhept-5-en-2-yl-methylidene-pentylazanium.
What is the SMILES notation for 6-methylhept-5-en-2-yl-methylidene-pentylazanium?
The canonical SMILES for 6-methylhept-5-en-2-yl-methylidene-pentylazanium is C=[N+](CCCCC)C(C)CCC=C(C)C.
What is the InChIKey of 6-methylhept-5-en-2-yl-methylidene-pentylazanium?
The InChIKey is HSHLFZYSYPWRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N/c1-6-7-8-12-15(5)14(4)11-9-10-13(2)3/h10,14H,5-9,11-12H2,1-4H3/q+1.
What are the key properties of 6-methylhept-5-en-2-yl-methylidene-pentylazanium?
6-methylhept-5-en-2-yl-methylidene-pentylazanium has a molecular weight of 210.38 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-5-en-2-yl-methylidene-pentylazanium is sourced from PubChem (CID 178080500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).