N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

C10H21F2N — CID 57486590

IUPACN-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)C(C)(F)F
InChIInChI=1S/C10H21F2N/c1-8(2)6-13(7-9(3)4)10(5,11)12/h8-9H,6-7H2,1-5H3
InChIKeyYSOXAFBHYDCXTB-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.21
Rot. Bonds5

About N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine

N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 57486590) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID57486590
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC NameN-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CC(C)C)C(C)(F)F
InChIInChI=1S/C10H21F2N/c1-8(2)6-13(7-9(3)4)10(5,11)12/h8-9H,6-7H2,1-5H3
InChIKeyYSOXAFBHYDCXTB-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.21
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

Triisobutylamine
CID 14222
Ethanamine, 2,2,2-trifluoro-N-methyl-N-propyl-
CID 23273437
2,2,2-TriF ethylamine,N-Pr,N-Et
CID 23273493
N-Methyl diisobutylamine
CID 14318826
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
N,N-diethyl-1,1-difluoro-2,2-dimethylpropan-1-amine
CID 9989828
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
N,N-Dibutyl-N-(difluoromethyl)butan-1-aminium chloride
CID 24750688
Pentafluorotributylamine
CID 129731872
1-Propanamine, 2-methyl, N,N-diethyl
CID 524225
N-methyl-N-(2-methylpropyl)-1-propanamine
CID 22949973

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 57486590) is N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CN(CC(C)C)C(C)(F)F.
What is the InChIKey of N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is YSOXAFBHYDCXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-8(2)6-13(7-9(3)4)10(5,11)12/h8-9H,6-7H2,1-5H3.
What are the key properties of N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 193.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 57486590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).