4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine

C11H22F2N2O — CID 115406425

IUPAC4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(CN)(NCC(F)F)CCO1
InChIInChI=1S/C11H22F2N2O/c1-8(2)9-5-11(7-14,3-4-16-9)15-6-10(12)13/h8-10,15H,3-7,14H2,1-2H3
InChIKeyASNWTJQZQSZQKI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.37
Rot. Bonds5

About 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine

4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine (PubChem CID 115406425) 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-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine
PubChem CID115406425
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine
SMILESCC(C)C1CC(CN)(NCC(F)F)CCO1
InChIInChI=1S/C11H22F2N2O/c1-8(2)9-5-11(7-14,3-4-16-9)15-6-10(12)13/h8-10,15H,3-7,14H2,1-2H3
InChIKeyASNWTJQZQSZQKI-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4,4-difluorocyclohexyl)amino]propyl]-N-methyl-4-(trifluoromethyl)oxan-4-amine
CID 169587954
2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64100931
2-propan-2-yl-N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101368
2-propan-2-yl-N-[2-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 64101738
2-propan-2-yl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102696
2-propan-2-yl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106491
[2-Ethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64109814
2-Propyl-4-(2,2,2-trifluoroethylamino)oxane-4-carbonitrile
CID 64109914
2-Propan-2-yl-4-(2,2,2-trifluoroethylamino)oxane-4-carbonitrile
CID 64109917
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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine (CID 115406425) is 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine is CC(C)C1CC(CN)(NCC(F)F)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine?
The InChIKey is ASNWTJQZQSZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-8(2)9-5-11(7-14,3-4-16-9)15-6-10(12)13/h8-10,15H,3-7,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine?
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propan-2-yloxan-4-amine has a molecular weight of 236.31 g/mol, XLogP of 1.37, 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-propan-2-yloxan-4-amine is sourced from PubChem (CID 115406425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).