2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine

C10H20FN — CID 170005371

IUPAC2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
SMILESC=C(NCC(F)C(C)C)C(C)C
InChIInChI=1S/C10H20FN/c1-7(2)9(5)12-6-10(11)8(3)4/h7-8,10,12H,5-6H2,1-4H3
InChIKeyBDRQEXQCNXHBAW-UHFFFAOYSA-N
MW173.27 g/mol
LogP2.74
Rot. Bonds5

About 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine

2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine (PubChem CID 170005371) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
PubChem CID170005371
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
SMILESC=C(NCC(F)C(C)C)C(C)C
InChIInChI=1S/C10H20FN/c1-7(2)9(5)12-6-10(11)8(3)4/h7-8,10,12H,5-6H2,1-4H3
InChIKeyBDRQEXQCNXHBAW-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine (CID 170005371) is 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine is C=C(NCC(F)C(C)C)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine?
The InChIKey is BDRQEXQCNXHBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-7(2)9(5)12-6-10(11)8(3)4/h7-8,10,12H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine?
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine has a molecular weight of 173.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine is sourced from PubChem (CID 170005371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).