4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide

C12H25N3O2 — CID 103188603

IUPAC4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
SMILESCCN(C(=O)C1COCC1N)C(C)CN(C)C
InChIInChI=1S/C12H25N3O2/c1-5-15(9(2)6-14(3)4)12(16)10-7-17-8-11(10)13/h9-11H,5-8,13H2,1-4H3
InChIKeyHOABLLWAVSKXOT-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.24
Rot. Bonds5

About 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide

4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide (PubChem CID 103188603) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
PubChem CID103188603
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide
SMILESCCN(C(=O)C1COCC1N)C(C)CN(C)C
InChIInChI=1S/C12H25N3O2/c1-5-15(9(2)6-14(3)4)12(16)10-7-17-8-11(10)13/h9-11H,5-8,13H2,1-4H3
InChIKeyHOABLLWAVSKXOT-UHFFFAOYSA-N
XLogP-0.24
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide (CID 103188603) is 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide is CCN(C(=O)C1COCC1N)C(C)CN(C)C.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide?
The InChIKey is HOABLLWAVSKXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-15(9(2)6-14(3)4)12(16)10-7-17-8-11(10)13/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide?
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyloxolane-3-carboxamide is sourced from PubChem (CID 103188603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).