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

C8H18FN — CID 14642707

IUPACN-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(F)CC(C)C
InChIInChI=1S/C8H18FN/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyADBCXUIHISRZFK-UHFFFAOYSA-N
MW147.24 g/mol
LogP2.48
Rot. Bonds4

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

N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 14642707) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID14642707
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC NameN-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(F)CC(C)C
InChIInChI=1S/C8H18FN/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyADBCXUIHISRZFK-UHFFFAOYSA-N
XLogP2.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triisobutylamine
CID 14222
N-butyl-N-fluorobutan-1-amine
CID 14642706
1-Propanamine, 2-methyl, N,N-diethyl
CID 524225
N-methyl-N-(2-methylpropyl)-1-propanamine
CID 22949973
N-Methyl diisobutylamine
CID 14318826
Lithium diisobutylamide
CID 11018925
N-fluoro-N,2-dimethylpropan-1-amine
CID 18475298
N-ethyl-N-fluoro-3-methylbutan-1-amine
CID 18628249
N,N-dibutyl-1-fluoro-2-methylpropan-1-amine
CID 20735606
N,N-diethyl-1-fluoro-2-methylpropan-1-amine
CID 21200869
Fluoro(tripropyl)azanium
CID 23124795
N-ethyl-N',N'-difluoro-N-(2-methylpropyl)propane-1,3-diamine
CID 58199556

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 14642707) is N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CN(F)CC(C)C.
What is the InChIKey of N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is ADBCXUIHISRZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-7(2)5-10(9)6-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 147.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 14642707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).