N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine

C12H21N — CID 123256793

IUPACN-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine
SMILESC/C=N/C=C(C)C1CC1C(C)CC
InChIInChI=1S/C12H21N/c1-5-9(3)11-7-12(11)10(4)8-13-6-2/h6,8-9,11-12H,5,7H2,1-4H3/b10-8?,13-6+
InChIKeyPHPKDGHNXXMDJA-SJJIJRAYSA-N
MW179.31 g/mol
LogP3.66
Rot. Bonds4

About N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine

N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine (PubChem CID 123256793) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine
PubChem CID123256793
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine
SMILESC/C=N/C=C(C)C1CC1C(C)CC
InChIInChI=1S/C12H21N/c1-5-9(3)11-7-12(11)10(4)8-13-6-2/h6,8-9,11-12H,5,7H2,1-4H3/b10-8?,13-6+
InChIKeyPHPKDGHNXXMDJA-SJJIJRAYSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[(E)-2-ethylhex-1-enyl]hexan-1-imine
CID 20436141
2-ethyl-N-(2-ethylhex-1-enyl)hexan-1-imine
CID 53891917
4-Cyclooctyl-5-methyl-3,4-dihydropyridine
CID 56982808
4-Cyclohexyl-5-methyl-3,4-dihydropyridine
CID 57010115
5-Methyl-3-azabicyclo[5.1.0]octa-2,4-diene
CID 91174454
5-Hexyl-6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 91393017
N-(3-ethyl-2-methyloct-1-enyl)prop-1-en-1-imine
CID 123267671
5-Ethyl-3-azabicyclo[5.1.0]octa-2,4-diene
CID 123356016
N-[2-methyl-4-(2-methylcyclopropyl)-5-methylideneheptan-3-yl]ethanimine
CID 123626745
N-(3-butyl-2-methyloct-1-enyl)methanimine
CID 123742477
N-[(Z)-3-butan-2-yl-4-methyloct-1-enyl]ethanimine
CID 123762729
N-[(E)-2-(2-methylcyclohexyl)prop-1-enyl]ethanimine
CID 126707032

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine?
The IUPAC name of N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine (CID 123256793) is N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine.
What is the SMILES notation for N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine?
The canonical SMILES for N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine is C/C=N/C=C(C)C1CC1C(C)CC.
What is the InChIKey of N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine?
The InChIKey is PHPKDGHNXXMDJA-SJJIJRAYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-9(3)11-7-12(11)10(4)8-13-6-2/h6,8-9,11-12H,5,7H2,1-4H3/b10-8?,13-6+.
What are the key properties of N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine?
N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine has a molecular weight of 179.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butan-2-ylcyclopropyl)prop-1-enyl]ethanimine is sourced from PubChem (CID 123256793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).