(E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine

C14H25N — CID 123232866

IUPAC(E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C(C)CC)C1CC(C)C1C
InChIInChI=1S/C14H25N/c1-6-9(2)13(8-11(4)15)14-7-10(3)12(14)5/h8-10,12,14-15H,6-7H2,1-5H3/b13-8+,15-11+
InChIKeyQBYQHOYGDJRSRU-ZSDFXZAOSA-N
MW207.36 g/mol
LogP4.29
Rot. Bonds4

About (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine

(E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine (PubChem CID 123232866) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine
PubChem CID123232866
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine
SMILES[H]/N=C(C)/C=C(\C(C)CC)C1CC(C)C1C
InChIInChI=1S/C14H25N/c1-6-9(2)13(8-11(4)15)14-7-10(3)12(14)5/h8-10,12,14-15H,6-7H2,1-5H3/b13-8+,15-11+
InChIKeyQBYQHOYGDJRSRU-ZSDFXZAOSA-N
XLogP4.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109
(E)-2,6-dimethyloct-6-en-3-imine
CID 89688388
3,5-Dimethylcyclohept-2-en-1-imine
CID 90778792
4-Ethyl-4,8-dimethyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclobutylidene]nonan-5-imine
CID 90813962
2,6-Dimethylcyclohept-2-en-1-imine
CID 90899794
(Z)-5-ethyl-3-methyloct-3-en-2-imine
CID 91076242
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
2-Methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine
CID 91346033

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine?
The IUPAC name of (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine (CID 123232866) is (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine.
What is the SMILES notation for (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine?
The canonical SMILES for (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine is [H]/N=C(C)/C=C(\C(C)CC)C1CC(C)C1C.
What is the InChIKey of (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine?
The InChIKey is QBYQHOYGDJRSRU-ZSDFXZAOSA-N. The full InChI is InChI=1S/C14H25N/c1-6-9(2)13(8-11(4)15)14-7-10(3)12(14)5/h8-10,12,14-15H,6-7H2,1-5H3/b13-8+,15-11+.
What are the key properties of (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine?
(E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine has a molecular weight of 207.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-dimethylcyclobutyl)-5-methylhept-3-en-2-imine is sourced from PubChem (CID 123232866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).