ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine

C19H37FN2 — CID 143831239

IUPACethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine
SMILESC=C.CCCC(F)CCCCCCNCNC1(C)CC=CC1
InChIInChI=1S/C17H33FN2.C2H4/c1-3-10-16(18)11-6-4-5-9-14-19-15-20-17(2)12-7-8-13-17;1-2/h7-8,16,19-20H,3-6,9-15H2,1-2H3;1-2H2
InChIKeyJCKLCGOTCDYNBQ-UHFFFAOYSA-N
MW312.52 g/mol
LogP5.12
Rot. Bonds12

About ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine

ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine (PubChem CID 143831239) has the molecular formula C19H37FN2 and a molecular weight of 312.52 g/mol. Its IUPAC name is ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine.

Molecular Properties

Compound Nameethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine
PubChem CID143831239
Molecular FormulaC19H37FN2
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Nameethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine
SMILESC=C.CCCC(F)CCCCCCNCNC1(C)CC=CC1
InChIInChI=1S/C17H33FN2.C2H4/c1-3-10-16(18)11-6-4-5-9-14-19-15-20-17(2)12-7-8-13-17;1-2/h7-8,16,19-20H,3-6,9-15H2,1-2H3;1-2H2
InChIKeyJCKLCGOTCDYNBQ-UHFFFAOYSA-N
XLogP5.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.52
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-[(Z)-7-fluoronon-6-enyl]-1-N'-(1-methylcyclopent-3-en-1-yl)ethene-1,1-diamine
CID 143831275
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
N'-[(E)-2-heptadecylicos-4-enyl]-N-methylmethanediamine
CID 155199642

Frequently Asked Questions

What is the IUPAC name of ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine?
The IUPAC name of ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine (CID 143831239) is ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine.
What is the SMILES notation for ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine?
The canonical SMILES for ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine is C=C.CCCC(F)CCCCCCNCNC1(C)CC=CC1.
What is the InChIKey of ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine?
The InChIKey is JCKLCGOTCDYNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2.C2H4/c1-3-10-16(18)11-6-4-5-9-14-19-15-20-17(2)12-7-8-13-17;1-2/h7-8,16,19-20H,3-6,9-15H2,1-2H3;1-2H2.
What are the key properties of ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine?
ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine has a molecular weight of 312.52 g/mol, XLogP of 5.12, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine is sourced from PubChem (CID 143831239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).