N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide

C10H18N2O — CID 169134276

IUPACN,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide
SMILESCN1CC2CC(C(=O)N(C)C)(C2)C1
InChIInChI=1S/C10H18N2O/c1-11(2)9(13)10-4-8(5-10)6-12(3)7-10/h8H,4-7H2,1-3H3
InChIKeyMFYFCBUKCSWJIX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.42
Rot. Bonds1

About N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide

N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide (PubChem CID 169134276) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide
PubChem CID169134276
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide
SMILESCN1CC2CC(C(=O)N(C)C)(C2)C1
InChIInChI=1S/C10H18N2O/c1-11(2)9(13)10-4-8(5-10)6-12(3)7-10/h8H,4-7H2,1-3H3
InChIKeyMFYFCBUKCSWJIX-UHFFFAOYSA-N
XLogP0.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide?
The IUPAC name of N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide (CID 169134276) is N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide.
What is the SMILES notation for N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide?
The canonical SMILES for N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide is CN1CC2CC(C(=O)N(C)C)(C2)C1.
What is the InChIKey of N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide?
The InChIKey is MFYFCBUKCSWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-11(2)9(13)10-4-8(5-10)6-12(3)7-10/h8H,4-7H2,1-3H3.
What are the key properties of N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide?
N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-3-azabicyclo[3.1.1]heptane-1-carboxamide is sourced from PubChem (CID 169134276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).