2-methyl-6-propan-2-yloxan-3-amine

C9H19NO — CID 20674124

IUPAC2-methyl-6-propan-2-yloxan-3-amine
SMILESCC(C)C1CCC(N)C(C)O1
InChIInChI=1S/C9H19NO/c1-6(2)9-5-4-8(10)7(3)11-9/h6-9H,4-5,10H2,1-3H3
InChIKeyYTMPOCRYMYXAHU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds1

About 2-methyl-6-propan-2-yloxan-3-amine

2-methyl-6-propan-2-yloxan-3-amine (PubChem CID 20674124) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yloxan-3-amine.

Molecular Properties

Compound Name2-methyl-6-propan-2-yloxan-3-amine
PubChem CID20674124
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-6-propan-2-yloxan-3-amine
SMILESCC(C)C1CCC(N)C(C)O1
InChIInChI=1S/C9H19NO/c1-6(2)9-5-4-8(10)7(3)11-9/h6-9H,4-5,10H2,1-3H3
InChIKeyYTMPOCRYMYXAHU-UHFFFAOYSA-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 2-methyl-6-propan-2-yloxan-3-amine?
The IUPAC name of 2-methyl-6-propan-2-yloxan-3-amine (CID 20674124) is 2-methyl-6-propan-2-yloxan-3-amine.
What is the SMILES notation for 2-methyl-6-propan-2-yloxan-3-amine?
The canonical SMILES for 2-methyl-6-propan-2-yloxan-3-amine is CC(C)C1CCC(N)C(C)O1.
What is the InChIKey of 2-methyl-6-propan-2-yloxan-3-amine?
The InChIKey is YTMPOCRYMYXAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)9-5-4-8(10)7(3)11-9/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yloxan-3-amine?
2-methyl-6-propan-2-yloxan-3-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 2-methyl-6-propan-2-yloxan-3-amine is sourced from PubChem (CID 20674124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).