(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine

C10H19NO — CID 97358274

IUPAC(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
SMILESC[C@H]1CC(NC2CC2)C[C@H](C)O1
InChIInChI=1S/C10H19NO/c1-7-5-10(6-8(2)12-7)11-9-3-4-9/h7-11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyQZMBOENVKRRVJU-YUMQZZPRSA-N
MW169.27 g/mol
LogP1.69
Rot. Bonds2

About (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine

(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine (PubChem CID 97358274) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound Name(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
PubChem CID97358274
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
SMILESC[C@H]1CC(NC2CC2)C[C@H](C)O1
InChIInChI=1S/C10H19NO/c1-7-5-10(6-8(2)12-7)11-9-3-4-9/h7-11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyQZMBOENVKRRVJU-YUMQZZPRSA-N
XLogP1.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine?
The IUPAC name of (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine (CID 97358274) is (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine.
What is the SMILES notation for (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine?
The canonical SMILES for (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine is C[C@H]1CC(NC2CC2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine?
The InChIKey is QZMBOENVKRRVJU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-5-10(6-8(2)12-7)11-9-3-4-9/h7-11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine?
(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 97358274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).