(3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine

C15H23N — CID 139294195

IUPAC(3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine
SMILESC=CC/C=C(\C=C/C(=C)/C=N/C)CC(C)C
InChIInChI=1S/C15H23N/c1-6-7-8-15(11-13(2)3)10-9-14(4)12-16-5/h6,8-10,12-13H,1,4,7,11H2,2-3,5H3/b10-9-,15-8+,16-12+
InChIKeyCVRLWXHAOUQODV-ZGDKCSANSA-N
MW217.36 g/mol
LogP4.35
Rot. Bonds7

About (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine

(3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine (PubChem CID 139294195) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine
PubChem CID139294195
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine
SMILESC=CC/C=C(\C=C/C(=C)/C=N/C)CC(C)C
InChIInChI=1S/C15H23N/c1-6-7-8-15(11-13(2)3)10-9-14(4)12-16-5/h6,8-10,12-13H,1,4,7,11H2,2-3,5H3/b10-9-,15-8+,16-12+
InChIKeyCVRLWXHAOUQODV-ZGDKCSANSA-N
XLogP4.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine?
The IUPAC name of (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine (CID 139294195) is (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine.
What is the SMILES notation for (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine?
The canonical SMILES for (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine is C=CC/C=C(\C=C/C(=C)/C=N/C)CC(C)C.
What is the InChIKey of (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine?
The InChIKey is CVRLWXHAOUQODV-ZGDKCSANSA-N. The full InChI is InChI=1S/C15H23N/c1-6-7-8-15(11-13(2)3)10-9-14(4)12-16-5/h6,8-10,12-13H,1,4,7,11H2,2-3,5H3/b10-9-,15-8+,16-12+.
What are the key properties of (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine?
(3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-methyl-2-methylidene-5-(2-methylpropyl)nona-3,5,8-trien-1-imine is sourced from PubChem (CID 139294195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).