(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine

C17H23N — CID 130314997

IUPAC(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine
SMILESC=C(/C=C\C=C/CC1(C)CC1)/C(C=C=CC)=N/C
InChIInChI=1S/C17H23N/c1-5-6-11-16(18-4)15(2)10-8-7-9-12-17(3)13-14-17/h5,7-11H,2,12-14H2,1,3-4H3/b9-7-,10-8-,18-16+
InChIKeySNRYQIHZLDKJGW-YMHSPLDMSA-N
MW241.38 g/mol
LogP4.65
Rot. Bonds6

About (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine

(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine (PubChem CID 130314997) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine.

Molecular Properties

Compound Name(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine
PubChem CID130314997
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine
SMILESC=C(/C=C\C=C/CC1(C)CC1)/C(C=C=CC)=N/C
InChIInChI=1S/C17H23N/c1-5-6-11-16(18-4)15(2)10-8-7-9-12-17(3)13-14-17/h5,7-11H,2,12-14H2,1,3-4H3/b9-7-,10-8-,18-16+
InChIKeySNRYQIHZLDKJGW-YMHSPLDMSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine?
The IUPAC name of (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine (CID 130314997) is (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine.
What is the SMILES notation for (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine?
The canonical SMILES for (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine is C=C(/C=C\C=C/CC1(C)CC1)/C(C=C=CC)=N/C.
What is the InChIKey of (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine?
The InChIKey is SNRYQIHZLDKJGW-YMHSPLDMSA-N. The full InChI is InChI=1S/C17H23N/c1-5-6-11-16(18-4)15(2)10-8-7-9-12-17(3)13-14-17/h5,7-11H,2,12-14H2,1,3-4H3/b9-7-,10-8-,18-16+.
What are the key properties of (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine?
(7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine has a molecular weight of 241.38 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z)-N-methyl-11-(1-methylcyclopropyl)-6-methylideneundeca-2,3,7,9-tetraen-5-imine is sourced from PubChem (CID 130314997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).