(5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine

C16H24N2 — CID 144758061

IUPAC(5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine
SMILESC=CC(=C)C(/C=C\C)=NC(=C)C1CN(C(C)C)C1
InChIInChI=1S/C16H24N2/c1-7-9-16(13(5)8-2)17-14(6)15-10-18(11-15)12(3)4/h7-9,12,15H,2,5-6,10-11H2,1,3-4H3/b9-7-,17-16-
InChIKeyFKSILRZYYWPAAU-DQUKDVETSA-N
MW244.38 g/mol
LogP3.60
Rot. Bonds6

About (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine

(5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine (PubChem CID 144758061) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine.

Molecular Properties

Compound Name(5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine
PubChem CID144758061
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine
SMILESC=CC(=C)C(/C=C\C)=NC(=C)C1CN(C(C)C)C1
InChIInChI=1S/C16H24N2/c1-7-9-16(13(5)8-2)17-14(6)15-10-18(11-15)12(3)4/h7-9,12,15H,2,5-6,10-11H2,1,3-4H3/b9-7-,17-16-
InChIKeyFKSILRZYYWPAAU-DQUKDVETSA-N
XLogP3.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-N-[1-(azetidin-3-yl)ethenyl]-3-methylidenehepta-1,5-dien-4-imine
CID 144758059
(6Z)-4-(azetidin-1-yl)-6-butan-2-ylidene-N-methylcyclohexa-2,4-dien-1-imine
CID 157043458

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine?
The IUPAC name of (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine (CID 144758061) is (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine.
What is the SMILES notation for (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine?
The canonical SMILES for (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine is C=CC(=C)C(/C=C\C)=NC(=C)C1CN(C(C)C)C1.
What is the InChIKey of (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine?
The InChIKey is FKSILRZYYWPAAU-DQUKDVETSA-N. The full InChI is InChI=1S/C16H24N2/c1-7-9-16(13(5)8-2)17-14(6)15-10-18(11-15)12(3)4/h7-9,12,15H,2,5-6,10-11H2,1,3-4H3/b9-7-,17-16-.
What are the key properties of (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine?
(5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine has a molecular weight of 244.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methylidene-N-[1-(1-propan-2-ylazetidin-3-yl)ethenyl]hepta-1,5-dien-4-imine is sourced from PubChem (CID 144758061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).