N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine

C9H19F3N2O — CID 157180888

IUPACN-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine
SMILESCNC1CCOCC1.NCCC(F)(F)F
InChIInChI=1S/C6H13NO.C3H6F3N/c1-7-6-2-4-8-5-3-6;4-3(5,6)1-2-7/h6-7H,2-5H2,1H3;1-2,7H2
InChIKeyAOOBWENFPBLBCM-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.28
Rot. Bonds2

About N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine

N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine (PubChem CID 157180888) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine
PubChem CID157180888
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC NameN-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine
SMILESCNC1CCOCC1.NCCC(F)(F)F
InChIInChI=1S/C6H13NO.C3H6F3N/c1-7-6-2-4-8-5-3-6;4-3(5,6)1-2-7/h6-7H,2-5H2,1H3;1-2,7H2
InChIKeyAOOBWENFPBLBCM-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine (CID 157180888) is N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine is CNC1CCOCC1.NCCC(F)(F)F.
What is the InChIKey of N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine?
The InChIKey is AOOBWENFPBLBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H6F3N/c1-7-6-2-4-8-5-3-6;4-3(5,6)1-2-7/h6-7H,2-5H2,1H3;1-2,7H2.
What are the key properties of N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine?
N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine has a molecular weight of 228.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloxan-4-amine;3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 157180888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).