(2-methyloxolan-3-yl)methanamine

C6H13NO — CID 79369849

IUPAC(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1CN
InChIInChI=1S/C6H13NO/c1-5-6(4-7)2-3-8-5/h5-6H,2-4,7H2,1H3
InChIKeyNWBRGMQYVOMXEG-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds1

About (2-methyloxolan-3-yl)methanamine

(2-methyloxolan-3-yl)methanamine (PubChem CID 79369849) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)methanamine
PubChem CID79369849
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1CN
InChIInChI=1S/C6H13NO/c1-5-6(4-7)2-3-8-5/h5-6H,2-4,7H2,1H3
InChIKeyNWBRGMQYVOMXEG-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)methanamine?
The IUPAC name of (2-methyloxolan-3-yl)methanamine (CID 79369849) is (2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (2-methyloxolan-3-yl)methanamine is CC1OCCC1CN.
What is the InChIKey of (2-methyloxolan-3-yl)methanamine?
The InChIKey is NWBRGMQYVOMXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-6(4-7)2-3-8-5/h5-6H,2-4,7H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)methanamine?
(2-methyloxolan-3-yl)methanamine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 79369849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).