[4-[(dimethylamino)methyl]oxan-4-yl]methanamine

C9H20N2O — CID 62390590

IUPAC[4-[(dimethylamino)methyl]oxan-4-yl]methanamine
SMILESCN(C)CC1(CN)CCOCC1
InChIInChI=1S/C9H20N2O/c1-11(2)8-9(7-10)3-5-12-6-4-9/h3-8,10H2,1-2H3
InChIKeyBOUKCGABVFDMBA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds3

About [4-[(dimethylamino)methyl]oxan-4-yl]methanamine

[4-[(dimethylamino)methyl]oxan-4-yl]methanamine (PubChem CID 62390590) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]oxan-4-yl]methanamine
PubChem CID62390590
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name[4-[(dimethylamino)methyl]oxan-4-yl]methanamine
SMILESCN(C)CC1(CN)CCOCC1
InChIInChI=1S/C9H20N2O/c1-11(2)8-9(7-10)3-5-12-6-4-9/h3-8,10H2,1-2H3
InChIKeyBOUKCGABVFDMBA-UHFFFAOYSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(dimethylamino)methyl]oxan-4-yl]methanamine (CID 62390590) is [4-[(dimethylamino)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(dimethylamino)methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(dimethylamino)methyl]oxan-4-yl]methanamine is CN(C)CC1(CN)CCOCC1.
What is the InChIKey of [4-[(dimethylamino)methyl]oxan-4-yl]methanamine?
The InChIKey is BOUKCGABVFDMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-11(2)8-9(7-10)3-5-12-6-4-9/h3-8,10H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]oxan-4-yl]methanamine?
[4-[(dimethylamino)methyl]oxan-4-yl]methanamine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62390590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).