(Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine

C14H25N — CID 135141009

IUPAC(Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C(=C/C)C(CCC)CCC
InChIInChI=1S/C14H25N/c1-5-9-12-15-14(8-4)13(10-6-2)11-7-3/h5,8-9,12-13H,6-7,10-11H2,1-4H3/b9-5-,14-8-,15-12+
InChIKeyGOQAXTMLJFMGKV-KNUARBCCSA-N
MW207.36 g/mol
LogP4.75
Rot. Bonds7

About (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine

(Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine (PubChem CID 135141009) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine
PubChem CID135141009
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C(=C/C)C(CCC)CCC
InChIInChI=1S/C14H25N/c1-5-9-12-15-14(8-4)13(10-6-2)11-7-3/h5,8-9,12-13H,6-7,10-11H2,1-4H3/b9-5-,14-8-,15-12+
InChIKeyGOQAXTMLJFMGKV-KNUARBCCSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine (CID 135141009) is (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine is C/C=C\C=N\C(=C/C)C(CCC)CCC.
What is the InChIKey of (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine?
The InChIKey is GOQAXTMLJFMGKV-KNUARBCCSA-N. The full InChI is InChI=1S/C14H25N/c1-5-9-12-15-14(8-4)13(10-6-2)11-7-3/h5,8-9,12-13H,6-7,10-11H2,1-4H3/b9-5-,14-8-,15-12+.
What are the key properties of (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine?
(Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-4-propylhept-2-en-3-yl]but-2-en-1-imine is sourced from PubChem (CID 135141009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).