(Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine

C15H24N2 — CID 177350383

IUPAC(Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine
SMILESC/C=C\C(=N/CC)C1=CC2CC1CN2C(C)C
InChIInChI=1S/C15H24N2/c1-5-7-15(16-6-2)14-9-13-8-12(14)10-17(13)11(3)4/h5,7,9,11-13H,6,8,10H2,1-4H3/b7-5-,16-15+
InChIKeyJYCGCUGUAXXZOA-DLPCUNJASA-N
MW232.37 g/mol
LogP3.06
Rot. Bonds4

About (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine

(Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine (PubChem CID 177350383) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine
PubChem CID177350383
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine
SMILESC/C=C\C(=N/CC)C1=CC2CC1CN2C(C)C
InChIInChI=1S/C15H24N2/c1-5-7-15(16-6-2)14-9-13-8-12(14)10-17(13)11(3)4/h5,7,9,11-13H,6,8,10H2,1-4H3/b7-5-,16-15+
InChIKeyJYCGCUGUAXXZOA-DLPCUNJASA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-3-fluoro-4-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-6-yl)hex-3-en-2-imine
CID 177351414
5-[(2S)-1-methylpyrrolidin-2-yl]-2,5-dihydropyridine
CID 90658037
1-(2-Butyl-4-diazocyclohexa-2,5-dien-1-yl)pyrrolidine
CID 19931587
1,2,3-trimethyl-5-[5-(1,2,3-trimethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pent-4-enylidene]pyrrolidine
CID 53730434
N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
CID 123481717
4-(3-Methylpyrrolidin-1-yl)cyclohex-2-en-1-imine
CID 123784648
(1S,3R,4R)-3-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-ene
CID 146519157
(Z)-1-(1,4-dimethylpyrrolidin-3-yl)-N-ethylpent-3-en-2-imine
CID 146568242
3-(2-pyrrolidin-1-ylethyl)-3aH-indole
CID 152743242
3-methyl-5-(1-methyl-2-methylidenepyrrolidin-3-yl)-2H-pyrrole
CID 167237953
N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanimine
CID 169907236
N-ethenyl-1-[(4S)-2-ethyl-2-azabicyclo[2.2.1]hept-5-en-6-yl]prop-2-en-1-imine
CID 172345936

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine (CID 177350383) is (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine is C/C=C\C(=N/CC)C1=CC2CC1CN2C(C)C.
What is the InChIKey of (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine?
The InChIKey is JYCGCUGUAXXZOA-DLPCUNJASA-N. The full InChI is InChI=1S/C15H24N2/c1-5-7-15(16-6-2)14-9-13-8-12(14)10-17(13)11(3)4/h5,7,9,11-13H,6,8,10H2,1-4H3/b7-5-,16-15+.
What are the key properties of (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine?
(Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine has a molecular weight of 232.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-1-(2-propan-2-yl-2-azabicyclo[2.2.1]hept-5-en-5-yl)but-2-en-1-imine is sourced from PubChem (CID 177350383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).