(3S)-6-(2-methyliminoethyl)oxan-3-amine

C8H16N2O — CID 174328015

IUPAC(3S)-6-(2-methyliminoethyl)oxan-3-amine
SMILESC/N=C/CC1CC[C@H](N)CO1
InChIInChI=1S/C8H16N2O/c1-10-5-4-8-3-2-7(9)6-11-8/h5,7-8H,2-4,6,9H2,1H3/b10-5+/t7-,8?/m0/s1
InChIKeyLRUONONUDSGIQJ-NSBOTOIPSA-N
MW156.23 g/mol
LogP0.58
Rot. Bonds2

About (3S)-6-(2-methyliminoethyl)oxan-3-amine

(3S)-6-(2-methyliminoethyl)oxan-3-amine (PubChem CID 174328015) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3S)-6-(2-methyliminoethyl)oxan-3-amine.

Molecular Properties

Compound Name(3S)-6-(2-methyliminoethyl)oxan-3-amine
PubChem CID174328015
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3S)-6-(2-methyliminoethyl)oxan-3-amine
SMILESC/N=C/CC1CC[C@H](N)CO1
InChIInChI=1S/C8H16N2O/c1-10-5-4-8-3-2-7(9)6-11-8/h5,7-8H,2-4,6,9H2,1H3/b10-5+/t7-,8?/m0/s1
InChIKeyLRUONONUDSGIQJ-NSBOTOIPSA-N
XLogP0.58
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-(2-methyliminoethyl)oxan-3-amine?
The IUPAC name of (3S)-6-(2-methyliminoethyl)oxan-3-amine (CID 174328015) is (3S)-6-(2-methyliminoethyl)oxan-3-amine.
What is the SMILES notation for (3S)-6-(2-methyliminoethyl)oxan-3-amine?
The canonical SMILES for (3S)-6-(2-methyliminoethyl)oxan-3-amine is C/N=C/CC1CC[C@H](N)CO1.
What is the InChIKey of (3S)-6-(2-methyliminoethyl)oxan-3-amine?
The InChIKey is LRUONONUDSGIQJ-NSBOTOIPSA-N. The full InChI is InChI=1S/C8H16N2O/c1-10-5-4-8-3-2-7(9)6-11-8/h5,7-8H,2-4,6,9H2,1H3/b10-5+/t7-,8?/m0/s1.
What are the key properties of (3S)-6-(2-methyliminoethyl)oxan-3-amine?
(3S)-6-(2-methyliminoethyl)oxan-3-amine has a molecular weight of 156.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(2-methyliminoethyl)oxan-3-amine is sourced from PubChem (CID 174328015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).