1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane

C15H26F2N2 — CID 139566338

IUPAC1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane
SMILESC/C=C(/C)CCC(F)/C(=C(\C)F)N1CCCNCC1
InChIInChI=1S/C15H26F2N2/c1-4-12(2)6-7-14(17)15(13(3)16)19-10-5-8-18-9-11-19/h4,14,18H,5-11H2,1-3H3/b12-4-,15-13-
InChIKeyBMSSQSPWCFGYFQ-LPVCSJLXSA-N
MW272.38 g/mol
LogP3.57
Rot. Bonds5

About 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane

1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane (PubChem CID 139566338) has the molecular formula C15H26F2N2 and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane
PubChem CID139566338
Molecular FormulaC15H26F2N2
Molecular Weight272.38 g/mol
Exact Mass272.21
IUPAC Name1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane
SMILESC/C=C(/C)CCC(F)/C(=C(\C)F)N1CCCNCC1
InChIInChI=1S/C15H26F2N2/c1-4-12(2)6-7-14(17)15(13(3)16)19-10-5-8-18-9-11-19/h4,14,18H,5-11H2,1-3H3/b12-4-,15-13-
InChIKeyBMSSQSPWCFGYFQ-LPVCSJLXSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane with MolForge

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Related Compounds

ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,4-diazepane
CID 143232699
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
1-(1,4-diazepan-1-yl)-3-methylbut-2-en-1-one
CID 28881262
1-(1,4-diazepan-1-yl)-N-ethylpropan-1-imine
CID 123287600
4-amino-1-(1,4-diazepan-1-yl)-2-methylbutan-1-one
CID 80542520
2-(1,4-diazepan-1-yl)-N-(2,2-difluoroethyl)-2-oxoacetamide
CID 115408222
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751
N-propan-2-ylpiperazine-1-carbothioamide
CID 57357186
(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
1-(1,4-diazepan-1-yl)-2-prop-2-enylpent-4-en-1-one
CID 119415239
1-(1,4-diazepan-1-yl)-4-(methylamino)butan-1-one
CID 60842229

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane?
The IUPAC name of 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane (CID 139566338) is 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane.
What is the SMILES notation for 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane?
The canonical SMILES for 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane is C/C=C(/C)CCC(F)/C(=C(\C)F)N1CCCNCC1.
What is the InChIKey of 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane?
The InChIKey is BMSSQSPWCFGYFQ-LPVCSJLXSA-N. The full InChI is InChI=1S/C15H26F2N2/c1-4-12(2)6-7-14(17)15(13(3)16)19-10-5-8-18-9-11-19/h4,14,18H,5-11H2,1-3H3/b12-4-,15-13-.
What are the key properties of 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane?
1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane has a molecular weight of 272.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,7Z)-2,4-difluoro-7-methylnona-2,7-dien-3-yl]-1,4-diazepane is sourced from PubChem (CID 139566338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).