2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine

C15H25N — CID 144702819

IUPAC2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine
SMILESC/C=C/CC/N=C1\CC2CC(C1C)C2(C)C
InChIInChI=1S/C15H25N/c1-5-6-7-8-16-14-10-12-9-13(11(14)2)15(12,3)4/h5-6,11-13H,7-10H2,1-4H3/b6-5+,16-14+
InChIKeyFTWLDNWVOSLNMO-NIWSBHGSSA-N
MW219.37 g/mol
LogP4.10
Rot. Bonds3

About 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine

2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine (PubChem CID 144702819) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine
PubChem CID144702819
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine
SMILESC/C=C/CC/N=C1\CC2CC(C1C)C2(C)C
InChIInChI=1S/C15H25N/c1-5-6-7-8-16-14-10-12-9-13(11(14)2)15(12,3)4/h5-6,11-13H,7-10H2,1-4H3/b6-5+,16-14+
InChIKeyFTWLDNWVOSLNMO-NIWSBHGSSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
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

(5E,9E)-2-spiro[5.5]undecan-4-yl-1-azacyclododeca-1,5,9-triene
CID 22816623
1-[5-(2,2-dimethylpropyl)spiro[5.5]undecan-2-yl]-N-ethyl-2-ethylidene-5-methyldecan-1-imine
CID 123919875
1-[(1S)-4-(4,4-dimethylcyclohexyl)cyclohex-2-en-1-yl]-N-ethylethanimine
CID 137475016
1-[(6S)-5-but-1-en-2-yl-6-methyl-2-bicyclo[3.1.1]hept-3-enyl]-N-ethylethanimine
CID 167170093
(5E)-2-spiro[5.5]undecan-4-yl-1-azacyclododeca-1,5,9-triene
CID 173436018

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine?
The IUPAC name of 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine (CID 144702819) is 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine.
What is the SMILES notation for 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine?
The canonical SMILES for 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine is C/C=C/CC/N=C1\CC2CC(C1C)C2(C)C.
What is the InChIKey of 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine?
The InChIKey is FTWLDNWVOSLNMO-NIWSBHGSSA-N. The full InChI is InChI=1S/C15H25N/c1-5-6-7-8-16-14-10-12-9-13(11(14)2)15(12,3)4/h5-6,11-13H,7-10H2,1-4H3/b6-5+,16-14+.
What are the key properties of 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine?
2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine has a molecular weight of 219.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-N-[(E)-pent-3-enyl]bicyclo[3.1.1]heptan-3-imine is sourced from PubChem (CID 144702819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).