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

C11H22F2N2O — CID 115406379

IUPAC4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(NCC(F)F)CCO1
InChIInChI=1S/C11H22F2N2O/c1-3-10(2)7-11(8-14,4-5-16-10)15-6-9(12)13/h9,15H,3-8,14H2,1-2H3
InChIKeyCHDLSOFBUQMXNJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.52
Rot. Bonds5

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

4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine (PubChem CID 115406379) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine
PubChem CID115406379
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(NCC(F)F)CCO1
InChIInChI=1S/C11H22F2N2O/c1-3-10(2)7-11(8-14,4-5-16-10)15-6-9(12)13/h9,15H,3-8,14H2,1-2H3
InChIKeyCHDLSOFBUQMXNJ-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-Dimethyl-2-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
CID 13051459
2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102494
2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106293
[2-Ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64109814
2-Ethyl-2-methyl-4-(2,2,2-trifluoroethylamino)oxane-4-carbonitrile
CID 64109916
[2,2-Dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110013
4-(aminomethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65376564
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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine (CID 115406379) is 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine is CCC1(C)CC(CN)(NCC(F)F)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine?
The InChIKey is CHDLSOFBUQMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-3-10(2)7-11(8-14,4-5-16-10)15-6-9(12)13/h9,15H,3-8,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine?
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine has a molecular weight of 236.31 g/mol, XLogP of 1.52, 5 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-ethyl-2-methyloxan-4-amine is sourced from PubChem (CID 115406379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).