3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine

C15H22N2 — CID 139678117

IUPAC3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine
SMILESCC(C)=CCCC(C)CC=Nc1ccccn1
InChIInChI=1S/C15H22N2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h4-5,7,9,11-12,14H,6,8,10H2,1-3H3
InChIKeyQFGMCWARVRLCMN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.56
Rot. Bonds6

About 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine

3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine (PubChem CID 139678117) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine.

Molecular Properties

Compound Name3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine
PubChem CID139678117
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine
SMILESCC(C)=CCCC(C)CC=Nc1ccccn1
InChIInChI=1S/C15H22N2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h4-5,7,9,11-12,14H,6,8,10H2,1-3H3
InChIKeyQFGMCWARVRLCMN-UHFFFAOYSA-N
XLogP4.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine?
The IUPAC name of 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine (CID 139678117) is 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine.
What is the SMILES notation for 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine?
The canonical SMILES for 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine is CC(C)=CCCC(C)CC=Nc1ccccn1.
What is the InChIKey of 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine?
The InChIKey is QFGMCWARVRLCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13(2)7-6-8-14(3)10-12-17-15-9-4-5-11-16-15/h4-5,7,9,11-12,14H,6,8,10H2,1-3H3.
What are the key properties of 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine?
3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine has a molecular weight of 230.35 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine is sourced from PubChem (CID 139678117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).