2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine

C11H23NO — CID 118684014

IUPAC2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine
SMILESC[C@@H](NC(C)(C)C)C1CCOCC1
InChIInChI=1S/C11H23NO/c1-9(12-11(2,3)4)10-5-7-13-8-6-10/h9-10,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyYVBURXOHYGRWHT-SECBINFHSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds2

About 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine

2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine (PubChem CID 118684014) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine
PubChem CID118684014
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine
SMILESC[C@@H](NC(C)(C)C)C1CCOCC1
InChIInChI=1S/C11H23NO/c1-9(12-11(2,3)4)10-5-7-13-8-6-10/h9-10,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyYVBURXOHYGRWHT-SECBINFHSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine (CID 118684014) is 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine is C[C@@H](NC(C)(C)C)C1CCOCC1.
What is the InChIKey of 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine?
The InChIKey is YVBURXOHYGRWHT-SECBINFHSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(12-11(2,3)4)10-5-7-13-8-6-10/h9-10,12H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine?
2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 118684014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).