1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine

C17H29FN2 — CID 143831275

IUPAC1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine
SMILESC=C(NCCCCC/C=C(\F)CC)NC1(C)CC=CC1
InChIInChI=1S/C17H29FN2/c1-4-16(18)11-7-5-6-10-14-19-15(2)20-17(3)12-8-9-13-17/h8-9,11,19-20H,2,4-7,10,12-14H2,1,3H3/b16-11-
InChIKeyAYQHCZWHMBVEKH-WJDWOHSUSA-N
MW280.43 g/mol
LogP4.57
Rot. Bonds10

About 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine

1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine (PubChem CID 143831275) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine
PubChem CID143831275
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine
SMILESC=C(NCCCCC/C=C(\F)CC)NC1(C)CC=CC1
InChIInChI=1S/C17H29FN2/c1-4-16(18)11-7-5-6-10-14-19-15(2)20-17(3)12-8-9-13-17/h8-9,11,19-20H,2,4-7,10,12-14H2,1,3H3/b16-11-
InChIKeyAYQHCZWHMBVEKH-WJDWOHSUSA-N
XLogP4.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-N'-[(Z,5S)-8-fluoro-4,5-dimethyl-3-methylidenenon-6-enyl]ethene-1,1-diamine
CID 173866526
N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine
CID 143831240
butane;1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine
CID 54472086
ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine
CID 143831239
1-N-methyl-1-N'-[2-[3-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]cyclopenta-1,3-dien-1-yl]butan-2-yl]ethene-1,1-diamine
CID 145462330
1-N'-[2-[(1S,4R)-4,5-dimethylcyclopent-2-en-1-yl]propan-2-yl]-1-N-methylethane-1,1-diamine
CID 54472087

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine (CID 143831275) is 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine is C=C(NCCCCC/C=C(\F)CC)NC1(C)CC=CC1.
What is the InChIKey of 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine?
The InChIKey is AYQHCZWHMBVEKH-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H29FN2/c1-4-16(18)11-7-5-6-10-14-19-15(2)20-17(3)12-8-9-13-17/h8-9,11,19-20H,2,4-7,10,12-14H2,1,3H3/b16-11-.
What are the key properties of 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine?
1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine has a molecular weight of 280.43 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine is sourced from PubChem (CID 143831275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).