N-(oxan-3-ylmethyl)ethanamine

C8H17NO — CID 61020592

IUPACN-(oxan-3-ylmethyl)ethanamine
SMILESCCNCC1CCCOC1
InChIInChI=1S/C8H17NO/c1-2-9-6-8-4-3-5-10-7-8/h8-9H,2-7H2,1H3
InChIKeyMDJDNPCMJFUERH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds3

About N-(oxan-3-ylmethyl)ethanamine

N-(oxan-3-ylmethyl)ethanamine (PubChem CID 61020592) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)ethanamine
PubChem CID61020592
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(oxan-3-ylmethyl)ethanamine
SMILESCCNCC1CCCOC1
InChIInChI=1S/C8H17NO/c1-2-9-6-8-4-3-5-10-7-8/h8-9H,2-7H2,1H3
InChIKeyMDJDNPCMJFUERH-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of N-(oxan-3-ylmethyl)ethanamine (CID 61020592) is N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for N-(oxan-3-ylmethyl)ethanamine is CCNCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is MDJDNPCMJFUERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-9-6-8-4-3-5-10-7-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(oxan-3-ylmethyl)ethanamine?
N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 61020592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).