(4S,6R)-2-methyl-6-propan-2-yloxan-4-amine

C9H19NO — CID 89411186

IUPAC(4S,6R)-2-methyl-6-propan-2-yloxan-4-amine
SMILESCC1C[C@H](N)C[C@H](C(C)C)O1
InChIInChI=1S/C9H19NO/c1-6(2)9-5-8(10)4-7(3)11-9/h6-9H,4-5,10H2,1-3H3/t7?,8-,9+/m0/s1
InChIKeyWLKHMXOPIXDLAZ-SXNZSPLWSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds1

About (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine

(4S,6R)-2-methyl-6-propan-2-yloxan-4-amine (PubChem CID 89411186) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name(4S,6R)-2-methyl-6-propan-2-yloxan-4-amine
PubChem CID89411186
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(4S,6R)-2-methyl-6-propan-2-yloxan-4-amine
SMILESCC1C[C@H](N)C[C@H](C(C)C)O1
InChIInChI=1S/C9H19NO/c1-6(2)9-5-8(10)4-7(3)11-9/h6-9H,4-5,10H2,1-3H3/t7?,8-,9+/m0/s1
InChIKeyWLKHMXOPIXDLAZ-SXNZSPLWSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine?
The IUPAC name of (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine (CID 89411186) is (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine.
What is the SMILES notation for (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine?
The canonical SMILES for (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine is CC1C[C@H](N)C[C@H](C(C)C)O1.
What is the InChIKey of (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine?
The InChIKey is WLKHMXOPIXDLAZ-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)9-5-8(10)4-7(3)11-9/h6-9H,4-5,10H2,1-3H3/t7?,8-,9+/m0/s1.
What are the key properties of (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine?
(4S,6R)-2-methyl-6-propan-2-yloxan-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2-methyl-6-propan-2-yloxan-4-amine is sourced from PubChem (CID 89411186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).