2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine

C9H20N2O2 — CID 117170153

IUPAC2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
SMILESCN(C)CCC1OCC(CCN)O1
InChIInChI=1S/C9H20N2O2/c1-11(2)6-4-9-12-7-8(13-9)3-5-10/h8-9H,3-7,10H2,1-2H3
InChIKeyXYZMBPPICWJOHC-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.03
Rot. Bonds5

About 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine

2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117170153) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
PubChem CID117170153
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
SMILESCN(C)CCC1OCC(CCN)O1
InChIInChI=1S/C9H20N2O2/c1-11(2)6-4-9-12-7-8(13-9)3-5-10/h8-9H,3-7,10H2,1-2H3
InChIKeyXYZMBPPICWJOHC-UHFFFAOYSA-N
XLogP0.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-pyrrolidin-1-ylethyl)-1,3-dioxolan-4-yl]ethanamine
CID 117170111
2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117169771
azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride
CID 174892237
2-(2-benzyl-1,3-dioxolan-4-yl)ethanamine
CID 117169445
2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169642
N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine
CID 160855630
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
2-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169224
4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
CID 22596460
N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
CID 175908064
3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine (CID 117170153) is 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine is CN(C)CCC1OCC(CCN)O1.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is XYZMBPPICWJOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-11(2)6-4-9-12-7-8(13-9)3-5-10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine?
2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 188.27 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117170153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).