(4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine

C11H19N3O — CID 70854543

IUPAC(4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine
SMILESCC1C[C@@](C)(NCc2cnc[nH]2)CCO1
InChIInChI=1S/C11H19N3O/c1-9-5-11(2,3-4-15-9)14-7-10-6-12-8-13-10/h6,8-9,14H,3-5,7H2,1-2H3,(H,12,13)/t9?,11-/m0/s1
InChIKeyFADJDSXLFBYOJG-UMJHXOGRSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds3

About (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine

(4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine (PubChem CID 70854543) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine.

Molecular Properties

Compound Name(4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine
PubChem CID70854543
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine
SMILESCC1C[C@@](C)(NCc2cnc[nH]2)CCO1
InChIInChI=1S/C11H19N3O/c1-9-5-11(2,3-4-15-9)14-7-10-6-12-8-13-10/h6,8-9,14H,3-5,7H2,1-2H3,(H,12,13)/t9?,11-/m0/s1
InChIKeyFADJDSXLFBYOJG-UMJHXOGRSA-N
XLogP1.46
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine?
The IUPAC name of (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine (CID 70854543) is (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine.
What is the SMILES notation for (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine?
The canonical SMILES for (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine is CC1C[C@@](C)(NCc2cnc[nH]2)CCO1.
What is the InChIKey of (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine?
The InChIKey is FADJDSXLFBYOJG-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-5-11(2,3-4-15-9)14-7-10-6-12-8-13-10/h6,8-9,14H,3-5,7H2,1-2H3,(H,12,13)/t9?,11-/m0/s1.
What are the key properties of (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine?
(4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(1H-imidazol-5-ylmethyl)-2,4-dimethyloxan-4-amine is sourced from PubChem (CID 70854543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).