3-methyl-N-(2-methylpropyl)oxan-3-amine

C10H21NO — CID 103897364

IUPAC3-methyl-N-(2-methylpropyl)oxan-3-amine
SMILESCC(C)CNC1(C)CCCOC1
InChIInChI=1S/C10H21NO/c1-9(2)7-11-10(3)5-4-6-12-8-10/h9,11H,4-8H2,1-3H3
InChIKeyDVBFMDSBHJJTOI-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

About 3-methyl-N-(2-methylpropyl)oxan-3-amine

3-methyl-N-(2-methylpropyl)oxan-3-amine (PubChem CID 103897364) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)oxan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)oxan-3-amine
PubChem CID103897364
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-N-(2-methylpropyl)oxan-3-amine
SMILESCC(C)CNC1(C)CCCOC1
InChIInChI=1S/C10H21NO/c1-9(2)7-11-10(3)5-4-6-12-8-10/h9,11H,4-8H2,1-3H3
InChIKeyDVBFMDSBHJJTOI-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)oxan-3-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)oxan-3-amine (CID 103897364) is 3-methyl-N-(2-methylpropyl)oxan-3-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)oxan-3-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)oxan-3-amine is CC(C)CNC1(C)CCCOC1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)oxan-3-amine?
The InChIKey is DVBFMDSBHJJTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)7-11-10(3)5-4-6-12-8-10/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)oxan-3-amine?
3-methyl-N-(2-methylpropyl)oxan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)oxan-3-amine is sourced from PubChem (CID 103897364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).