4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine

C13H21N — CID 89084617

IUPAC4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
SMILES[H]/N=C(\C)CCC1=C(C)CCC1C(=C)C
InChIInChI=1S/C13H21N/c1-9(2)12-7-5-10(3)13(12)8-6-11(4)14/h12,14H,1,5-8H2,2-4H3/b14-11+
InChIKeyWTAFSNPSMKAZCT-SDNWHVSQSA-N
MW191.32 g/mol
LogP4.11
Rot. Bonds4

About 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine

4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine (PubChem CID 89084617) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine.

Molecular Properties

Compound Name4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
PubChem CID89084617
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
SMILES[H]/N=C(\C)CCC1=C(C)CCC1C(=C)C
InChIInChI=1S/C13H21N/c1-9(2)12-7-5-10(3)13(12)8-6-11(4)14/h12,14H,1,5-8H2,2-4H3/b14-11+
InChIKeyWTAFSNPSMKAZCT-SDNWHVSQSA-N
XLogP4.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.11
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

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
3-[(3S)-4-(3-fluoroprop-1-en-2-yl)-3-methyl-5-(3-methylidenecyclopenten-1-yl)cyclopenta-1,4-dien-1-yl]butan-2-imine
CID 166989027
(3R,5S)-5-fluoro-6-(fluoromethyl)-3,7-dimethyloct-7-en-4-imine
CID 173772004
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
5-Hexylbicyclo[2.2.1]hept-5-en-2-imine
CID 68426061
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
4-(2-Ethylbut-1-enyl)cyclohexan-1-imine
CID 89040033
4-[(Z)-but-2-enyl]cyclohexan-1-imine
CID 89040034
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine?
The IUPAC name of 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine (CID 89084617) is 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine.
What is the SMILES notation for 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine?
The canonical SMILES for 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine is [H]/N=C(\C)CCC1=C(C)CCC1C(=C)C.
What is the InChIKey of 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine?
The InChIKey is WTAFSNPSMKAZCT-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)12-7-5-10(3)13(12)8-6-11(4)14/h12,14H,1,5-8H2,2-4H3/b14-11+.
What are the key properties of 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine?
4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine has a molecular weight of 191.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine is sourced from PubChem (CID 89084617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).