2-methyl-N-(oxan-3-ylmethyl)propan-1-amine

C10H21NO — CID 61019791

IUPAC2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCCOC1
InChIInChI=1S/C10H21NO/c1-9(2)6-11-7-10-4-3-5-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyHFYFOSHIYZXSPG-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds4

About 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine

2-methyl-N-(oxan-3-ylmethyl)propan-1-amine (PubChem CID 61019791) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
PubChem CID61019791
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCCOC1
InChIInChI=1S/C10H21NO/c1-9(2)6-11-7-10-4-3-5-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyHFYFOSHIYZXSPG-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine (CID 61019791) is 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine is CC(C)CNCC1CCCOC1.
What is the InChIKey of 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine?
The InChIKey is HFYFOSHIYZXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)6-11-7-10-4-3-5-12-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine?
2-methyl-N-(oxan-3-ylmethyl)propan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 61019791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).