4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine

C9H20N2O — CID 66259900

IUPAC4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CN(C)C
InChIInChI=1S/C9H20N2O/c1-4-10-9-7-12-6-8(9)5-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyZZTROBQNAAXWFF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.17
Rot. Bonds4

About 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine

4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine (PubChem CID 66259900) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine
PubChem CID66259900
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CN(C)C
InChIInChI=1S/C9H20N2O/c1-4-10-9-7-12-6-8(9)5-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyZZTROBQNAAXWFF-UHFFFAOYSA-N
XLogP0.17
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 ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 66259533
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733
N-[[4-(ethylamino)oxolan-3-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 66258960
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66258382
4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine
CID 66257389
1-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 66259329
N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine
CID 66259139
4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine
CID 66258957
N-ethyl-4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]oxolan-3-amine
CID 66259151
1-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 66259336
4-[(dimethylamino)methyl]oxolan-3-amine
CID 66237318

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine?
The IUPAC name of 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine (CID 66259900) is 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine is CCNC1COCC1CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine?
The InChIKey is ZZTROBQNAAXWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-10-9-7-12-6-8(9)5-11(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine?
4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine has a molecular weight of 172.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine is sourced from PubChem (CID 66259900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).