(1R)-1-(4-methyloxan-4-yl)ethanamine

C8H17NO — CID 70313065

IUPAC(1R)-1-(4-methyloxan-4-yl)ethanamine
SMILESC[C@@H](N)C1(C)CCOCC1
InChIInChI=1S/C8H17NO/c1-7(9)8(2)3-5-10-6-4-8/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyQCLZZAUXRWGDCS-SSDOTTSWSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About (1R)-1-(4-methyloxan-4-yl)ethanamine

(1R)-1-(4-methyloxan-4-yl)ethanamine (PubChem CID 70313065) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1R)-1-(4-methyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methyloxan-4-yl)ethanamine
PubChem CID70313065
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1R)-1-(4-methyloxan-4-yl)ethanamine
SMILESC[C@@H](N)C1(C)CCOCC1
InChIInChI=1S/C8H17NO/c1-7(9)8(2)3-5-10-6-4-8/h7H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKeyQCLZZAUXRWGDCS-SSDOTTSWSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methyloxan-4-yl)ethanamine?
The IUPAC name of (1R)-1-(4-methyloxan-4-yl)ethanamine (CID 70313065) is (1R)-1-(4-methyloxan-4-yl)ethanamine.
What is the SMILES notation for (1R)-1-(4-methyloxan-4-yl)ethanamine?
The canonical SMILES for (1R)-1-(4-methyloxan-4-yl)ethanamine is C[C@@H](N)C1(C)CCOCC1.
What is the InChIKey of (1R)-1-(4-methyloxan-4-yl)ethanamine?
The InChIKey is QCLZZAUXRWGDCS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(9)8(2)3-5-10-6-4-8/h7H,3-6,9H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-(4-methyloxan-4-yl)ethanamine?
(1R)-1-(4-methyloxan-4-yl)ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methyloxan-4-yl)ethanamine is sourced from PubChem (CID 70313065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).