N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine

C11H17N — CID 91145112

IUPACN-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
SMILESC=CCC(CC1=CC1CC)N=C
InChIInChI=1S/C11H17N/c1-4-6-11(12-3)8-10-7-9(10)5-2/h4,7,9,11H,1,3,5-6,8H2,2H3
InChIKeyJWNPHPXPSBXEJQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.99
Rot. Bonds6

About N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine

N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine (PubChem CID 91145112) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
PubChem CID91145112
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
SMILESC=CCC(CC1=CC1CC)N=C
InChIInChI=1S/C11H17N/c1-4-6-11(12-3)8-10-7-9(10)5-2/h4,7,9,11H,1,3,5-6,8H2,2H3
InChIKeyJWNPHPXPSBXEJQ-UHFFFAOYSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
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

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CID 91209535
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N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine
CID 91451462
3-Butylidene-2-(2-methylbutyl)-2,4-dihydroazepine
CID 123139562
N-(3,8-dimethylnon-7-enyl)methanimine
CID 123415175
N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine
CID 123511738
N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine
CID 123567686
N-(8-methyl-3-propylnon-4-en-2-yl)methanimine
CID 123669519
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CID 123889684

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine?
The IUPAC name of N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine (CID 91145112) is N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine.
What is the SMILES notation for N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine?
The canonical SMILES for N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine is C=CCC(CC1=CC1CC)N=C.
What is the InChIKey of N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine?
The InChIKey is JWNPHPXPSBXEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-6-11(12-3)8-10-7-9(10)5-2/h4,7,9,11H,1,3,5-6,8H2,2H3.
What are the key properties of N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine?
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine has a molecular weight of 163.26 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine is sourced from PubChem (CID 91145112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).