2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine

C9H20FN — CID 177005712

IUPAC2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(F)CN(C)CC(C)C
InChIInChI=1S/C9H20FN/c1-5-9(10)7-11(4)6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeySNQQCVOVIIQJRB-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.32
Rot. Bonds5

About 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine

2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 177005712) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID177005712
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(F)CN(C)CC(C)C
InChIInChI=1S/C9H20FN/c1-5-9(10)7-11(4)6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKeySNQQCVOVIIQJRB-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine (CID 177005712) is 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine is CCC(F)CN(C)CC(C)C.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is SNQQCVOVIIQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN/c1-5-9(10)7-11(4)6-8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine?
2-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.32, 5 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-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 177005712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).