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

C17H33FN2 — CID 143831240

IUPACN-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine
SMILESCCCC(F)CCCCCCNCNC1(C)CC=CC1
InChIInChI=1S/C17H33FN2/c1-3-10-16(18)11-6-4-5-9-14-19-15-20-17(2)12-7-8-13-17/h7-8,16,19-20H,3-6,9-15H2,1-2H3
InChIKeyQOVSGVUFRVTHQO-UHFFFAOYSA-N
MW284.46 g/mol
LogP4.32
Rot. Bonds12

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

N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine (PubChem CID 143831240) has the molecular formula C17H33FN2 and a molecular weight of 284.46 g/mol. Its IUPAC name is N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine.

Molecular Properties

Compound NameN-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine
PubChem CID143831240
Molecular FormulaC17H33FN2
Molecular Weight284.46 g/mol
Exact Mass284.26
IUPAC NameN-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine
SMILESCCCC(F)CCCCCCNCNC1(C)CC=CC1
InChIInChI=1S/C17H33FN2/c1-3-10-16(18)11-6-4-5-9-14-19-15-20-17(2)12-7-8-13-17/h7-8,16,19-20H,3-6,9-15H2,1-2H3
InChIKeyQOVSGVUFRVTHQO-UHFFFAOYSA-N
XLogP4.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.46
LogP ≤ 54.32
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
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
N'-[(E)-2-heptadecylicos-4-enyl]-N-methylmethanediamine
CID 155199642

Frequently Asked Questions

What is the IUPAC name of N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine?
The IUPAC name of N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine (CID 143831240) is N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine.
What is the SMILES notation for N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine?
The canonical SMILES for N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine is CCCC(F)CCCCCCNCNC1(C)CC=CC1.
What is the InChIKey of N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine?
The InChIKey is QOVSGVUFRVTHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2/c1-3-10-16(18)11-6-4-5-9-14-19-15-20-17(2)12-7-8-13-17/h7-8,16,19-20H,3-6,9-15H2,1-2H3.
What are the key properties of N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine?
N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine has a molecular weight of 284.46 g/mol, XLogP of 4.32, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluorodecyl)-N'-(1-methylcyclopent-3-en-1-yl)methanediamine is sourced from PubChem (CID 143831240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).