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

C9H20FN — CID 126593992

IUPAC4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CN(C)CCCCF
InChIInChI=1S/C9H20FN/c1-9(2)8-11(3)7-5-4-6-10/h9H,4-8H2,1-3H3
InChIKeyYDWBDUIVVZIATA-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.32
Rot. Bonds6

About 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine

4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 126593992) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID126593992
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CN(C)CCCCF
InChIInChI=1S/C9H20FN/c1-9(2)8-11(3)7-5-4-6-10/h9H,4-8H2,1-3H3
InChIKeyYDWBDUIVVZIATA-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)-
CID 69525
Triisobutylamine
CID 14222
1-Butanamine, N,N-dibutyl-, hydrofluoride (1:1)
CID 3017185
N-(3-methylbutyl)diethylamine
CID 199672
1-Butanamine, 2-methyl-N,N-bis(2-methylbutyl)-
CID 14298629
N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 14642707
Triethylamine, 2-isopropyl-, hydrochloride
CID 199671
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
Flurotributyl amine
CID 24758913
Fluorotributylamine
CID 87204294
1-Propanamine, 2-methyl, N,N-diethyl
CID 524225

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine (CID 126593992) is 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CN(C)CCCCF.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is YDWBDUIVVZIATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN/c1-9(2)8-11(3)7-5-4-6-10/h9H,4-8H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine?
4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 126593992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).