10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine

C18H26N2 — CID 91311689

IUPAC10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
SMILESC=C(CC)CC/C=C\C(=C)C1=CC=CCCC/N=C\N1
InChIInChI=1S/C18H26N2/c1-4-16(2)11-8-9-12-17(3)18-13-7-5-6-10-14-19-15-20-18/h5,7,9,12-13,15H,2-4,6,8,10-11,14H2,1H3,(H,19,20)/b7-5?,12-9-,18-13?
InChIKeyQIFFFPOWFHKFOS-KGXBEXRVSA-N
MW270.42 g/mol
LogP4.70
Rot. Bonds6

About 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine

10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine (PubChem CID 91311689) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine.

Molecular Properties

Compound Name10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
PubChem CID91311689
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine
SMILESC=C(CC)CC/C=C\C(=C)C1=CC=CCCC/N=C\N1
InChIInChI=1S/C18H26N2/c1-4-16(2)11-8-9-12-17(3)18-13-7-5-6-10-14-19-15-20-18/h5,7,9,12-13,15H,2-4,6,8,10-11,14H2,1H3,(H,19,20)/b7-5?,12-9-,18-13?
InChIKeyQIFFFPOWFHKFOS-KGXBEXRVSA-N
XLogP4.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-Cyclohepta-1,6-dien-1-yl-1,4-dihydropyrimidin-4-amine
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N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
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N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
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N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
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N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
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N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
CID 129294469
(6E)-6-hexan-2-ylidene-1H-pyrimidine
CID 130242037
N-[4-[[(Z)-3-(7-aminocyclohepta-1,4,6-trien-1-yl)pent-3-enyl]amino]but-2-enyl]-N-ethyl-N'-methylmethanimidamide
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Frequently Asked Questions

What is the IUPAC name of 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine?
The IUPAC name of 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine (CID 91311689) is 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine.
What is the SMILES notation for 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine?
The canonical SMILES for 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine is C=C(CC)CC/C=C\C(=C)C1=CC=CCCC/N=C\N1.
What is the InChIKey of 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine?
The InChIKey is QIFFFPOWFHKFOS-KGXBEXRVSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-16(2)11-8-9-12-17(3)18-13-7-5-6-10-14-19-15-20-18/h5,7,9,12-13,15H,2-4,6,8,10-11,14H2,1H3,(H,19,20)/b7-5?,12-9-,18-13?.
What are the key properties of 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine?
10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine has a molecular weight of 270.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3Z)-7-methylidenenona-1,3-dien-2-yl]-1,4,5,6-tetrahydro-1,3-diazecine is sourced from PubChem (CID 91311689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).