1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine

C9H20N2O — CID 62419753

IUPAC1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN(C)C)O1
InChIInChI=1S/C9H20N2O/c1-10-6-8-4-5-9(12-8)7-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyUFDYWLCXPWXRGH-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds4

About 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine

1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine (PubChem CID 62419753) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
PubChem CID62419753
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN(C)C)O1
InChIInChI=1S/C9H20N2O/c1-10-6-8-4-5-9(12-8)7-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyUFDYWLCXPWXRGH-UHFFFAOYSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62888537
4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62436939
N-methyl-1-[5-[[methyl(oxan-3-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 63707990
4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62435116
N,2-diethyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]butan-1-amine
CID 55072215
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]prop-2-en-1-amine
CID 62418405
1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62413491
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
1-cyclopropyl-N-(2-methoxyethyl)-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 62461299
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708
N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55074213

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine (CID 62419753) is 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine is CNCC1CCC(CN(C)C)O1.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine?
The InChIKey is UFDYWLCXPWXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-6-8-4-5-9(12-8)7-11(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine?
1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62419753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).