1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine

C15H23N3 — CID 146583373

IUPAC1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine
SMILES[H]/N=C(C)/C=C(/C)N=C1CN(/C(=C\C=C/C)CC)C1
InChIInChI=1S/C15H23N3/c1-5-7-8-15(6-2)18-10-14(11-18)17-13(4)9-12(3)16/h5,7-9,16H,6,10-11H2,1-4H3/b7-5-,13-9-,15-8-,16-12+
InChIKeyOFRVJCMFVIBKKN-NBFZVNCJSA-N
MW245.37 g/mol
LogP3.56
Rot. Bonds5

About 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine

1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine (PubChem CID 146583373) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine.

Molecular Properties

Compound Name1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine
PubChem CID146583373
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine
SMILES[H]/N=C(C)/C=C(/C)N=C1CN(/C(=C\C=C/C)CC)C1
InChIInChI=1S/C15H23N3/c1-5-7-8-15(6-2)18-10-14(11-18)17-13(4)9-12(3)16/h5,7-9,16H,6,10-11H2,1-4H3/b7-5-,13-9-,15-8-,16-12+
InChIKeyOFRVJCMFVIBKKN-NBFZVNCJSA-N
XLogP3.56
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine?
The IUPAC name of 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine (CID 146583373) is 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine.
What is the SMILES notation for 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine?
The canonical SMILES for 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine is [H]/N=C(C)/C=C(/C)N=C1CN(/C(=C\C=C/C)CC)C1.
What is the InChIKey of 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine?
The InChIKey is OFRVJCMFVIBKKN-NBFZVNCJSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-7-8-15(6-2)18-10-14(11-18)17-13(4)9-12(3)16/h5,7-9,16H,6,10-11H2,1-4H3/b7-5-,13-9-,15-8-,16-12+.
What are the key properties of 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine?
1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine has a molecular weight of 245.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine is sourced from PubChem (CID 146583373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).