3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide

C12H25N3O2 — CID 64892175

IUPAC3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide
SMILESCC(C)C(CNC(=O)C1(N)CCOC1)N(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)10(15(3)4)7-14-11(16)12(13)5-6-17-8-12/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyMHMZKTVAHOHUHG-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds5

About 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide

3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide (PubChem CID 64892175) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide
PubChem CID64892175
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide
SMILESCC(C)C(CNC(=O)C1(N)CCOC1)N(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)10(15(3)4)7-14-11(16)12(13)5-6-17-8-12/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyMHMZKTVAHOHUHG-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide (CID 64892175) is 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide is CC(C)C(CNC(=O)C1(N)CCOC1)N(C)C.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide?
The InChIKey is MHMZKTVAHOHUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)10(15(3)4)7-14-11(16)12(13)5-6-17-8-12/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide?
3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-3-methylbutyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).