dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium

C18H32N+ — CID 123658981

IUPACdimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium
SMILESC=CCC(=CCCCC)C(C=[N+](C)C)CC1CC1C
InChIInChI=1S/C18H32N/c1-6-8-9-11-16(10-7-2)18(14-19(4)5)13-17-12-15(17)3/h7,11,14-15,17-18H,2,6,8-10,12-13H2,1,3-5H3/q+1
InChIKeyFEGADAWZULZUTE-UHFFFAOYSA-N
MW262.46 g/mol
LogP4.68
Rot. Bonds9

About dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium

dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium (PubChem CID 123658981) has the molecular formula C18H32N+ and a molecular weight of 262.46 g/mol. Its IUPAC name is dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium.

Molecular Properties

Compound Namedimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium
PubChem CID123658981
Molecular FormulaC18H32N+
Molecular Weight262.46 g/mol
Exact Mass262.25
IUPAC Namedimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium
SMILESC=CCC(=CCCCC)C(C=[N+](C)C)CC1CC1C
InChIInChI=1S/C18H32N/c1-6-8-9-11-16(10-7-2)18(14-19(4)5)13-17-12-15(17)3/h7,11,14-15,17-18H,2,6,8-10,12-13H2,1,3-5H3/q+1
InChIKeyFEGADAWZULZUTE-UHFFFAOYSA-N
XLogP4.68
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 54.68
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

N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine
CID 59008587
2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
5-but-3-en-2-yl-8-hepta-2,6-dienylimino-10-imino-N,N,6-trimethyldeca-3,4-dien-2-amine
CID 91069167
N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine
CID 91085247
5-ethyl-N,2-dimethyltridec-2-en-1-imine
CID 91514795
N-ethyl-4-(3,5,8-trimethylcyclooct-3-en-1-yl)butan-1-imine
CID 123359959
2,3,5,8,9,10-hexamethyl-N-propan-2-yltridec-4-en-1-imine
CID 123504857
(3,5-Diethyl-7,10-dimethyl-7-prop-1-enylundeca-2,8-dienylidene)-dimethylazanium
CID 123551976
Dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium
CID 123712231
(E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine
CID 123794453
Methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium
CID 123932437
N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine
CID 138464182

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium?
The IUPAC name of dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium (CID 123658981) is dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium.
What is the SMILES notation for dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium?
The canonical SMILES for dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium is C=CCC(=CCCCC)C(C=[N+](C)C)CC1CC1C.
What is the InChIKey of dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium?
The InChIKey is FEGADAWZULZUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N/c1-6-8-9-11-16(10-7-2)18(14-19(4)5)13-17-12-15(17)3/h7,11,14-15,17-18H,2,6,8-10,12-13H2,1,3-5H3/q+1.
What are the key properties of dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium?
dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium has a molecular weight of 262.46 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium is sourced from PubChem (CID 123658981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).