N,N-dibutyl-1-fluoro-2-methylpropan-1-amine

C12H26FN — CID 20735606

IUPACN,N-dibutyl-1-fluoro-2-methylpropan-1-amine
SMILESCCCCN(CCCC)C(F)C(C)C
InChIInChI=1S/C12H26FN/c1-5-7-9-14(10-8-6-2)12(13)11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyYTIZAHWNZGLDQO-UHFFFAOYSA-N
MW203.34 g/mol
LogP3.84
Rot. Bonds8

About N,N-dibutyl-1-fluoro-2-methylpropan-1-amine

N,N-dibutyl-1-fluoro-2-methylpropan-1-amine (PubChem CID 20735606) has the molecular formula C12H26FN and a molecular weight of 203.34 g/mol. Its IUPAC name is N,N-dibutyl-1-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound NameN,N-dibutyl-1-fluoro-2-methylpropan-1-amine
PubChem CID20735606
Molecular FormulaC12H26FN
Molecular Weight203.34 g/mol
Exact Mass203.20
IUPAC NameN,N-dibutyl-1-fluoro-2-methylpropan-1-amine
SMILESCCCCN(CCCC)C(F)C(C)C
InChIInChI=1S/C12H26FN/c1-5-7-9-14(10-8-6-2)12(13)11(3)4/h11-12H,5-10H2,1-4H3
InChIKeyYTIZAHWNZGLDQO-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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
Triethylamine, 2-isopropyl-, hydrochloride
CID 199671
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 14642707
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 N,N-dibutyl-1-fluoro-2-methylpropan-1-amine?
The IUPAC name of N,N-dibutyl-1-fluoro-2-methylpropan-1-amine (CID 20735606) is N,N-dibutyl-1-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for N,N-dibutyl-1-fluoro-2-methylpropan-1-amine?
The canonical SMILES for N,N-dibutyl-1-fluoro-2-methylpropan-1-amine is CCCCN(CCCC)C(F)C(C)C.
What is the InChIKey of N,N-dibutyl-1-fluoro-2-methylpropan-1-amine?
The InChIKey is YTIZAHWNZGLDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FN/c1-5-7-9-14(10-8-6-2)12(13)11(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of N,N-dibutyl-1-fluoro-2-methylpropan-1-amine?
N,N-dibutyl-1-fluoro-2-methylpropan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 20735606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).