2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine

C14H29F2N — CID 168880780

IUPAC2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine
SMILESCCCCC(CCC)(CNC)CC(F)(F)CC
InChIInChI=1S/C14H29F2N/c1-5-8-10-13(9-6-2,12-17-4)11-14(15,16)7-3/h17H,5-12H2,1-4H3
InChIKeyZNCIPKQKHWMAGX-UHFFFAOYSA-N
MW249.39 g/mol
LogP4.62
Rot. Bonds10

About 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine

2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine (PubChem CID 168880780) has the molecular formula C14H29F2N and a molecular weight of 249.39 g/mol. Its IUPAC name is 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine.

Molecular Properties

Compound Name2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine
PubChem CID168880780
Molecular FormulaC14H29F2N
Molecular Weight249.39 g/mol
Exact Mass249.23
IUPAC Name2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine
SMILESCCCCC(CCC)(CNC)CC(F)(F)CC
InChIInChI=1S/C14H29F2N/c1-5-8-10-13(9-6-2,12-17-4)11-14(15,16)7-3/h17H,5-12H2,1-4H3
InChIKeyZNCIPKQKHWMAGX-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
2-butyl-2-ethyl-N-methylhexan-1-amine
CID 63507209
3-(4,4-difluorocyclohexyl)-N-methylpropan-1-amine
CID 70326662
2,2-difluoro-N,6-dimethylheptan-1-amine
CID 88588168
N-methyl-3-(trifluoromethyl)hexan-1-amine
CID 88589057
N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine
CID 88975392
10,10,11,11,11-pentafluoro-N,2,2,4,4-pentamethylundecan-1-amine
CID 89198964
4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 89931266
7,7-difluoro-N,2,2-trimethyloctan-1-amine
CID 91307144
3-methyl-2-propyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 91347812
7,7-Difluoro-2,2-dimethyloctan-1-amine
CID 91540728
N-[(1-ethylcyclobutyl)methyl]-2,2,2-trifluoroethanamine
CID 105753471

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine?
The IUPAC name of 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine (CID 168880780) is 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine.
What is the SMILES notation for 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine?
The canonical SMILES for 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine is CCCCC(CCC)(CNC)CC(F)(F)CC.
What is the InChIKey of 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine?
The InChIKey is ZNCIPKQKHWMAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2N/c1-5-8-10-13(9-6-2,12-17-4)11-14(15,16)7-3/h17H,5-12H2,1-4H3.
What are the key properties of 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine?
2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine has a molecular weight of 249.39 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine is sourced from PubChem (CID 168880780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).