(5-methyloxolan-2-yl)methanamine

C6H13NO — CID 66663993

IUPAC(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(CN)O1
InChIInChI=1S/C6H13NO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4,7H2,1H3
InChIKeyQVDZSYSWFHRVRU-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds1

About (5-methyloxolan-2-yl)methanamine

(5-methyloxolan-2-yl)methanamine (PubChem CID 66663993) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)methanamine
PubChem CID66663993
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(CN)O1
InChIInChI=1S/C6H13NO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4,7H2,1H3
InChIKeyQVDZSYSWFHRVRU-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)methanamine?
The IUPAC name of (5-methyloxolan-2-yl)methanamine (CID 66663993) is (5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (5-methyloxolan-2-yl)methanamine is CC1CCC(CN)O1.
What is the InChIKey of (5-methyloxolan-2-yl)methanamine?
The InChIKey is QVDZSYSWFHRVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4,7H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)methanamine?
(5-methyloxolan-2-yl)methanamine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 66663993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).