2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine

C11H19N — CID 123925681

IUPAC2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine
SMILES[H]/N=C/CC1C(C)(C)C1(C)C=CC
InChIInChI=1S/C11H19N/c1-5-7-11(4)9(6-8-12)10(11,2)3/h5,7-9,12H,6H2,1-4H3/b7-5?,12-8+
InChIKeyQSEVDZFKVWDRHM-MXHFXKQGSA-N
MW165.28 g/mol
LogP3.26
Rot. Bonds3

About 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine

2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine (PubChem CID 123925681) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine.

Molecular Properties

Compound Name2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine
PubChem CID123925681
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine
SMILES[H]/N=C/CC1C(C)(C)C1(C)C=CC
InChIInChI=1S/C11H19N/c1-5-7-11(4)9(6-8-12)10(11,2)3/h5,7-9,12H,6H2,1-4H3/b7-5?,12-8+
InChIKeyQSEVDZFKVWDRHM-MXHFXKQGSA-N
XLogP3.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3Z)-2-(2-fluoropropan-2-yl)-2-methyl-3-prop-2-enylidenecyclopropyl]methanimine
CID 135217583
5-Methyl-2-(2-methylbutan-2-yl)hex-4-en-1-imine
CID 89708391
4-(7-Methyl-3-bicyclo[5.1.0]octa-2,5-dienyl)pentan-1-imine
CID 91233736
(Z)-3-[(2S)-butan-2-yl]hex-4-en-1-imine
CID 118687334
(Z)-3-propan-2-ylhex-4-en-1-imine
CID 118687372
2-Propan-2-ylhex-4-en-1-imine
CID 123137099
(Z)-4,5-dimethylhept-2-en-1-imine
CID 123670818
4-Propan-2-ylhept-2-en-1-imine
CID 123804434
3,6,8-Trimethyldec-5-en-1-imine
CID 123837565
2-Hexan-3-ylhex-4-en-1-imine
CID 123865105
7-Methyldec-5-en-1-imine
CID 123926616
3-Butan-2-yl-2,7-dimethylocta-5,7-dien-1-imine
CID 124022710

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine?
The IUPAC name of 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine (CID 123925681) is 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine.
What is the SMILES notation for 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine?
The canonical SMILES for 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine is [H]/N=C/CC1C(C)(C)C1(C)C=CC.
What is the InChIKey of 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine?
The InChIKey is QSEVDZFKVWDRHM-MXHFXKQGSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-11(4)9(6-8-12)10(11,2)3/h5,7-9,12H,6H2,1-4H3/b7-5?,12-8+.
What are the key properties of 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine?
2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethyl-3-prop-1-enylcyclopropyl)ethanimine is sourced from PubChem (CID 123925681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).