dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium

C11H20N+ — CID 123712231

IUPACdimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium
SMILESCC(=CCC=[N+](C)C)C1CC1C
InChIInChI=1S/C11H20N/c1-9(11-8-10(11)2)6-5-7-12(3)4/h6-7,10-11H,5,8H2,1-4H3/q+1
InChIKeyCAMZYVNHVUUSRC-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.32
Rot. Bonds3

About dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium

dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium (PubChem CID 123712231) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium.

Molecular Properties

Compound Namedimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium
PubChem CID123712231
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Namedimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium
SMILESCC(=CCC=[N+](C)C)C1CC1C
InChIInChI=1S/C11H20N/c1-9(11-8-10(11)2)6-5-7-12(3)4/h6-7,10-11H,5,8H2,1-4H3/q+1
InChIKeyCAMZYVNHVUUSRC-UHFFFAOYSA-N
XLogP2.32
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-tert-butyl-3,7-dimethyloct-6-en-1-imine
CID 20591843
4-Cyclopropyl-2,5-dihydropyridine
CID 57099917
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
N,4-dimethyloct-6-en-1-imine
CID 91168305
N-methyl-2-(2-methylbutyl)hex-2-en-1-imine
CID 91384576
N,3-dimethyl-4-propan-2-ylhept-2-en-1-imine
CID 123269754
1-Methyl-3-(2-methylpropylidene)-6-(2-prop-1-enylcyclopropyl)-2,4-dihydroazepin-1-ium
CID 123384014
2,6-dimethyl-N-propylhept-5-en-1-imine
CID 123518183
Dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium
CID 123658981
N,3-diethyl-4-methylhex-2-en-1-imine
CID 123767677

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium?
The IUPAC name of dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium (CID 123712231) is dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium.
What is the SMILES notation for dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium?
The canonical SMILES for dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium is CC(=CCC=[N+](C)C)C1CC1C.
What is the InChIKey of dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium?
The InChIKey is CAMZYVNHVUUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-9(11-8-10(11)2)6-5-7-12(3)4/h6-7,10-11H,5,8H2,1-4H3/q+1.
What are the key properties of dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium?
dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium has a molecular weight of 166.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(2-methylcyclopropyl)pent-3-enylidene]azanium is sourced from PubChem (CID 123712231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).