3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide

C8H14N2O — CID 134166286

IUPAC3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(C)C(=O)C12CC(N)(C1)C2
InChIInChI=1S/C8H14N2O/c1-10(2)6(11)7-3-8(9,4-7)5-7/h3-5,9H2,1-2H3
InChIKeyTXFDHFIBIXZHJA-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.04
Rot. Bonds1

About 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide

3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 134166286) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID134166286
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(C)C(=O)C12CC(N)(C1)C2
InChIInChI=1S/C8H14N2O/c1-10(2)6(11)7-3-8(9,4-7)5-7/h3-5,9H2,1-2H3
InChIKeyTXFDHFIBIXZHJA-UHFFFAOYSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide (CID 134166286) is 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide is CN(C)C(=O)C12CC(N)(C1)C2.
What is the InChIKey of 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is TXFDHFIBIXZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10(2)6(11)7-3-8(9,4-7)5-7/h3-5,9H2,1-2H3.
What are the key properties of 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide?
3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 154.21 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 134166286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).