4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine

C13H24FN — CID 167217035

IUPAC4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine
SMILESC=C(C)CN(CCC)CC(=C)CC(C)F
InChIInChI=1S/C13H24FN/c1-6-7-15(9-11(2)3)10-12(4)8-13(5)14/h13H,2,4,6-10H2,1,3,5H3
InChIKeyHQUARAPSCPNDTH-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.58
Rot. Bonds8

About 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine

4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine (PubChem CID 167217035) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine
PubChem CID167217035
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine
SMILESC=C(C)CN(CCC)CC(=C)CC(C)F
InChIInChI=1S/C13H24FN/c1-6-7-15(9-11(2)3)10-12(4)8-13(5)14/h13H,2,4,6-10H2,1,3,5H3
InChIKeyHQUARAPSCPNDTH-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethyl-3,5-dimethylenepiperidinium chloride
CID 3016839
6,6-difluoro-N,N,5-trimethyl-2-methylidenehex-5-en-1-amine
CID 58962881
(2R)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)pent-4-en-2-amine
CID 146266978
N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 146267020
3-Fluoro-1,5-dimethyl-2,3,4,7-tetrahydroazepine
CID 168224430
(3S)-3-fluoro-1,5-dimethyl-2,3,4,7-tetrahydroazepine
CID 168224502
(3R)-3-fluoro-1,5-dimethyl-2,3,4,7-tetrahydroazepine
CID 168225089
4-fluoro-N-methyl-2-methylidene-N-propylbutan-1-amine
CID 169605942
1-Ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine
CID 170382534
(2R)-N-(2-fluoro-2-methylpropyl)-N,4-dimethylpent-4-en-2-amine
CID 170950702
(2S,3E)-N-[(2R)-butan-2-yl]-3-(fluoromethylidene)-N-methylpentan-2-amine
CID 173690933
(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine
CID 174855048

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine?
The IUPAC name of 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine (CID 167217035) is 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine?
The canonical SMILES for 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine is C=C(C)CN(CCC)CC(=C)CC(C)F.
What is the InChIKey of 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine?
The InChIKey is HQUARAPSCPNDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-6-7-15(9-11(2)3)10-12(4)8-13(5)14/h13H,2,4,6-10H2,1,3,5H3.
What are the key properties of 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine?
4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine has a molecular weight of 213.34 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine is sourced from PubChem (CID 167217035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).