N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine

C11H23F2N — CID 177033045

IUPACN-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine
SMILESCCN(CCC(F)(F)CC)CC(C)C
InChIInChI=1S/C11H23F2N/c1-5-11(12,13)7-8-14(6-2)9-10(3)4/h10H,5-9H2,1-4H3
InChIKeyUDOLIHCJNHYCCE-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.40
Rot. Bonds7

About N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine

N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine (PubChem CID 177033045) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine
PubChem CID177033045
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC NameN-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine
SMILESCCN(CCC(F)(F)CC)CC(C)C
InChIInChI=1S/C11H23F2N/c1-5-11(12,13)7-8-14(6-2)9-10(3)4/h10H,5-9H2,1-4H3
InChIKeyUDOLIHCJNHYCCE-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,4,5,5,6,6,6-Nonafluorohexyl(tripropyl)azanium
CID 71377731
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
n,n-Diethyl-1,1-difluoro-2-methylpropan-1-amine
CID 10103496
N-(difluoromethyl)-N-hexylhexan-1-amine
CID 18323272
N-butyl-N-(trifluoromethyl)butan-1-amine
CID 18356515
N,N-dibutyl-1-fluoro-2-methylpropan-1-amine
CID 20735606
4,4-Difluoro-1-(4-methylpentyl)piperidine
CID 20811829
4,4-Difluoro-1-(3-methylbutyl)piperidine
CID 20811830
N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811852
N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine
CID 20811854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine (CID 177033045) is N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine is CCN(CCC(F)(F)CC)CC(C)C.
What is the InChIKey of N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is UDOLIHCJNHYCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N/c1-5-11(12,13)7-8-14(6-2)9-10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine?
N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 207.31 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoro-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 177033045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).