4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine

C9H18F2N2O — CID 115406229

IUPAC4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine
SMILESCC1CC(CN)(NCC(F)F)CCO1
InChIInChI=1S/C9H18F2N2O/c1-7-4-9(6-12,2-3-14-7)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyPUMTWTNRVFOGGU-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.74
Rot. Bonds4

About 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine

4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine (PubChem CID 115406229) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine
PubChem CID115406229
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine
SMILESCC1CC(CN)(NCC(F)F)CCO1
InChIInChI=1S/C9H18F2N2O/c1-7-4-9(6-12,2-3-14-7)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyPUMTWTNRVFOGGU-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64109814
[2-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110012
[2,2-Dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110013
2-Methyl-4-(2,2,2-trifluoroethylamino)oxane-4-carbonitrile
CID 64110115
4-(aminomethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65376564
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65376779
4-(aminomethyl)-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65377808
4-(aminomethyl)-2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378217
4-(aminomethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378218
4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378224
4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378225
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxepan-4-amine
CID 65378429

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine (CID 115406229) is 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine is CC1CC(CN)(NCC(F)F)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine?
The InChIKey is PUMTWTNRVFOGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-7-4-9(6-12,2-3-14-7)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine?
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine has a molecular weight of 208.25 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-methyloxan-4-amine is sourced from PubChem (CID 115406229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).