4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine

C13H23N — CID 123797988

IUPAC4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine
SMILES[H]/N=C/CCCC1(CC)CC(C(=C)C)C1
InChIInChI=1S/C13H23N/c1-4-13(7-5-6-8-14)9-12(10-13)11(2)3/h8,12,14H,2,4-7,9-10H2,1,3H3/b14-8+
InChIKeyBMGHWUKHMVFVIE-RIYZIHGNSA-N
MW193.33 g/mol
LogP4.19
Rot. Bonds6

About 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine

4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine (PubChem CID 123797988) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine.

Molecular Properties

Compound Name4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine
PubChem CID123797988
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine
SMILES[H]/N=C/CCCC1(CC)CC(C(=C)C)C1
InChIInChI=1S/C13H23N/c1-4-13(7-5-6-8-14)9-12(10-13)11(2)3/h8,12,14H,2,4-7,9-10H2,1,3H3/b14-8+
InChIKeyBMGHWUKHMVFVIE-RIYZIHGNSA-N
XLogP4.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,4-dimethyl-3-methylideneheptan-1-imine
CID 89244769
5,6-Dimethylhept-6-en-1-imine
CID 91525775
4-Ethyl-7-methyloct-7-en-1-imine
CID 123335226
3-(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)propan-1-imine
CID 123975814
(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine
CID 126592729
(5S)-5-methyl-6-methylideneoctan-1-imine
CID 126592938
2-(3,8-Dimethyl-2-bicyclo[7.1.1]undeca-5,6-dienyl)ethanimine
CID 132062473
5-Methyl-7-methylidenenonan-1-imine
CID 134570211
1-Cyclobutyl-2,2,3-trimethylbut-3-en-1-imine
CID 138580899
5,5-Dimethyl-4-methylideneheptan-1-imine
CID 138717111
5-Ethyl-2-methylidenedodecan-1-imine
CID 146359684
3,4-Dimethyl-3-(2-methylcyclobutyl)pent-4-en-1-imine
CID 154937337

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine?
The IUPAC name of 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine (CID 123797988) is 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine.
What is the SMILES notation for 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine?
The canonical SMILES for 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine is [H]/N=C/CCCC1(CC)CC(C(=C)C)C1.
What is the InChIKey of 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine?
The InChIKey is BMGHWUKHMVFVIE-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H23N/c1-4-13(7-5-6-8-14)9-12(10-13)11(2)3/h8,12,14H,2,4-7,9-10H2,1,3H3/b14-8+.
What are the key properties of 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine?
4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine is sourced from PubChem (CID 123797988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).