(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine

C14H23N — CID 164902329

IUPAC(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
SMILESC/C=C\C=C(CC)/C(CCC)=N/C=C\C
InChIInChI=1S/C14H23N/c1-5-9-11-13(8-4)14(10-6-2)15-12-7-3/h5,7,9,11-12H,6,8,10H2,1-4H3/b9-5-,12-7-,13-11-,15-14+
InChIKeyKNMWWFIOXBZIIN-INSCTQNKSA-N
MW205.34 g/mol
LogP4.67
Rot. Bonds6

About (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine

(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine (PubChem CID 164902329) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
PubChem CID164902329
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
SMILESC/C=C\C=C(CC)/C(CCC)=N/C=C\C
InChIInChI=1S/C14H23N/c1-5-9-11-13(8-4)14(10-6-2)15-12-7-3/h5,7,9,11-12H,6,8,10H2,1-4H3/b9-5-,12-7-,13-11-,15-14+
InChIKeyKNMWWFIOXBZIIN-INSCTQNKSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.67
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 (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine?
The IUPAC name of (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine (CID 164902329) is (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine.
What is the SMILES notation for (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine?
The canonical SMILES for (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine is C/C=C\C=C(CC)/C(CCC)=N/C=C\C.
What is the InChIKey of (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine?
The InChIKey is KNMWWFIOXBZIIN-INSCTQNKSA-N. The full InChI is InChI=1S/C14H23N/c1-5-9-11-13(8-4)14(10-6-2)15-12-7-3/h5,7,9,11-12H,6,8,10H2,1-4H3/b9-5-,12-7-,13-11-,15-14+.
What are the key properties of (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine?
(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine has a molecular weight of 205.34 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine is sourced from PubChem (CID 164902329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).