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

C11H22F2N2O — CID 115406424

IUPAC4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
SMILESCCCC1CC(CN)(NCC(F)F)CCO1
InChIInChI=1S/C11H22F2N2O/c1-2-3-9-6-11(8-14,4-5-16-9)15-7-10(12)13/h9-10,15H,2-8,14H2,1H3
InChIKeyYNEIKHYZMYMUJW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.52
Rot. Bonds6

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

4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine (PubChem CID 115406424) 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-propyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
PubChem CID115406424
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
SMILESCCCC1CC(CN)(NCC(F)F)CCO1
InChIInChI=1S/C11H22F2N2O/c1-2-3-9-6-11(8-14,4-5-16-9)15-7-10(12)13/h9-10,15H,2-8,14H2,1H3
InChIKeyYNEIKHYZMYMUJW-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine (CID 115406424) is 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine is CCCC1CC(CN)(NCC(F)F)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine?
The InChIKey is YNEIKHYZMYMUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-2-3-9-6-11(8-14,4-5-16-9)15-7-10(12)13/h9-10,15H,2-8,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine?
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine has a molecular weight of 236.31 g/mol, XLogP of 1.52, 6 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-propyloxan-4-amine is sourced from PubChem (CID 115406424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).