2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine

C8H14FN — CID 126994512

IUPAC2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine
SMILESC#CCN(C)CC(F)CC
InChIInChI=1S/C8H14FN/c1-4-6-10(3)7-8(9)5-2/h1,8H,5-7H2,2-3H3
InChIKeyDKILXOHKIGZCEE-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.30
Rot. Bonds4

About 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine

2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine (PubChem CID 126994512) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine
PubChem CID126994512
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine
SMILESC#CCN(C)CC(F)CC
InChIInChI=1S/C8H14FN/c1-4-6-10(3)7-8(9)5-2/h1,8H,5-7H2,2-3H3
InChIKeyDKILXOHKIGZCEE-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butanamine, N-methyl-N-2-propynyl-, hydrochloride
CID 3072561
3-Dibutylamino-1-propyne
CID 138732
N,N-Dipropyl-2-propyn-1-amine
CID 138724
N-methyl-N-prop-2-ynyl-butan-1-amine
CID 3072562
Flurotributyl amine
CID 24758913
Fluorotributylamine
CID 87204294
6-(18F)fluoro-N-methyl-N-prop-2-ynylhexan-1-amine
CID 450979
Propyldi-2-proynylamine
CID 139180
N,N-dibutyl(3,3,3-trifluoro-1-propynyl)amine
CID 10987818
n,n-Di(prop-2-yn-1-yl)butan-1-amine
CID 234372
(But-3-yn-1-yl)diethylamine
CID 12225176
N-(6-Fluorohexyl)-N-methylpropargylamine
CID 10080829

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine (CID 126994512) is 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine is C#CCN(C)CC(F)CC.
What is the InChIKey of 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine?
The InChIKey is DKILXOHKIGZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-4-6-10(3)7-8(9)5-2/h1,8H,5-7H2,2-3H3.
What are the key properties of 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine?
2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine has a molecular weight of 143.21 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-prop-2-ynylbutan-1-amine is sourced from PubChem (CID 126994512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).