[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium

C11H20N+ — CID 170270124

IUPAC[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium
SMILESC=[N+](C)C1(C)CC1(C)/C(C)=C/C
InChIInChI=1S/C11H20N/c1-7-9(2)10(3)8-11(10,4)12(5)6/h7H,5,8H2,1-4,6H3/q+1/b9-7+
InChIKeyZNAMWIJSSFTDBE-VQHVLOKHSA-N
MW166.29 g/mol
LogP2.46
Rot. Bonds2

About [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium

[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium (PubChem CID 170270124) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium
PubChem CID170270124
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium
SMILESC=[N+](C)C1(C)CC1(C)/C(C)=C/C
InChIInChI=1S/C11H20N/c1-7-9(2)10(3)8-11(10,4)12(5)6/h7H,5,8H2,1-4,6H3/q+1/b9-7+
InChIKeyZNAMWIJSSFTDBE-VQHVLOKHSA-N
XLogP2.46
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.46
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

3-(cyclopropen-1-yl)-N,N,2-trimethylbutan-2-amine
CID 91311680
(2-But-2-en-2-yl-1,2,3-trimethylcyclopropyl)-ethylidene-methylazanium
CID 123197091
(2-But-2-en-2-yl-1,2-diethylcyclopropyl)-ethenyl-methylideneazanium
CID 123854178
2-but-2-en-2-yl-1,2-diethyl-N,N,3-trimethylcyclopropan-1-amine
CID 123913625
N-[(E)-2,3,3,4-tetramethylhept-4-en-2-yl]methanimine
CID 126591324
N-[(E)-4-ethyl-3,4,5-trimethylhept-5-en-3-yl]methanimine
CID 130341594
N-[(E)-4-tert-butyl-2,3,3-trimethylhex-4-en-2-yl]methanimine
CID 132202639
N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]methanimine
CID 138567796
N-[1,2-diethyl-2-(3-methylbut-2-en-2-yl)-3-methylidenecyclopropyl]methanimine
CID 138567821
N-[1,2-diethyl-3-methylidene-2-[(E)-3-methylpent-2-en-2-yl]cyclopropyl]methanimine
CID 138567903
N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine
CID 146208626
N-[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]methanimine
CID 146322748

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium?
The IUPAC name of [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium (CID 170270124) is [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium.
What is the SMILES notation for [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium?
The canonical SMILES for [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium is C=[N+](C)C1(C)CC1(C)/C(C)=C/C.
What is the InChIKey of [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium?
The InChIKey is ZNAMWIJSSFTDBE-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20N/c1-7-9(2)10(3)8-11(10,4)12(5)6/h7H,5,8H2,1-4,6H3/q+1/b9-7+.
What are the key properties of [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium?
[2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium has a molecular weight of 166.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-but-2-en-2-yl]-1,2-dimethylcyclopropyl]-methyl-methylideneazanium is sourced from PubChem (CID 170270124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).