N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine

C10H20FN — CID 130217215

IUPACN-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine
SMILESC=C(C(C)C)N(CCC)CCF
InChIInChI=1S/C10H20FN/c1-5-7-12(8-6-11)10(4)9(2)3/h9H,4-8H2,1-3H3
InChIKeyPQXUSCBCYUHGFQ-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.84
Rot. Bonds6

About N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine

N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine (PubChem CID 130217215) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine
PubChem CID130217215
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC NameN-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine
SMILESC=C(C(C)C)N(CCC)CCF
InChIInChI=1S/C10H20FN/c1-5-7-12(8-6-11)10(4)9(2)3/h9H,4-8H2,1-3H3
InChIKeyPQXUSCBCYUHGFQ-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-1-(3-methylbut-1-en-2-yl)piperidine
CID 118185526
3-fluoro-N,3-dimethyl-N-propan-2-ylbut-1-en-2-amine
CID 122645146
N-(2-fluoro-2-methylpropyl)-N,3-dimethylbut-1-en-2-amine
CID 130436255
N-(2-fluoropropyl)-N,3-dimethylbut-1-en-2-amine
CID 132192306
N-(2-fluoropropyl)-N-methylbut-1-en-2-amine
CID 144557678
ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
CID 144760644
3,3-Difluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 146330698
N-(2-fluoro-2-methylpropyl)-3-methylbut-1-en-2-amine
CID 146536937
(4S)-1-(2-fluoropropyl)-4-methyl-2-methylidenepyrrolidine
CID 156479681
N,3-dimethyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-1-en-2-amine
CID 169840951
3-Fluoro-1-(3-methylbut-1-en-2-yl)azetidine
CID 170117416
N-but-1-en-2-yl-3,3,3-trifluoro-2-methyl-N-propylpropan-1-amine
CID 172384392

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine?
The IUPAC name of N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine (CID 130217215) is N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine is C=C(C(C)C)N(CCC)CCF.
What is the InChIKey of N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine?
The InChIKey is PQXUSCBCYUHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-5-7-12(8-6-11)10(4)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine?
N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine has a molecular weight of 173.27 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-methyl-N-propylbut-1-en-2-amine is sourced from PubChem (CID 130217215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).