N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine

C12H27N3O — CID 66259533

IUPACN'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCNC1COCC1CN(C)CCN(C)C
InChIInChI=1S/C12H27N3O/c1-5-13-12-10-16-9-11(12)8-15(4)7-6-14(2)3/h11-13H,5-10H2,1-4H3
InChIKeyMNQJIAOVFRPSFS-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.10
Rot. Bonds7

About N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 66259533) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID66259533
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCNC1COCC1CN(C)CCN(C)C
InChIInChI=1S/C12H27N3O/c1-5-13-12-10-16-9-11(12)8-15(4)7-6-14(2)3/h11-13H,5-10H2,1-4H3
InChIKeyMNQJIAOVFRPSFS-UHFFFAOYSA-N
XLogP0.10
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(dimethylamino)methyl]-N-ethyloxolan-3-amine
CID 66259900
N-ethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-amine
CID 82739733
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
CID 66258382
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
N-ethyl-4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxolan-3-amine
CID 66259139
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-N-propyloxolane-3-carboxamide
CID 66259680
4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
N-[[4-(ethylamino)oxolan-3-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 66258960
4-[(cyclopropylamino)methyl]-N-ethyloxolan-3-amine
CID 66257389
4-[(dipropylamino)methyl]-N-methyloxolan-3-amine
CID 66267847
1-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 66259329
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-N-propyloxolan-3-amine
CID 66255630

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 66259533) is N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine is CCNC1COCC1CN(C)CCN(C)C.
What is the InChIKey of N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is MNQJIAOVFRPSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-13-12-10-16-9-11(12)8-15(4)7-6-14(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(ethylamino)oxolan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 66259533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).