N-methyl-2-azabicyclo[3.1.1]heptan-2-amine

C7H14N2 — CID 174322994

IUPACN-methyl-2-azabicyclo[3.1.1]heptan-2-amine
SMILESCNN1CCC2CC1C2
InChIInChI=1S/C7H14N2/c1-8-9-3-2-6-4-7(9)5-6/h6-8H,2-5H2,1H3
InChIKeyAJKJUAFAOWAZEQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.61
Rot. Bonds1

About N-methyl-2-azabicyclo[3.1.1]heptan-2-amine

N-methyl-2-azabicyclo[3.1.1]heptan-2-amine (PubChem CID 174322994) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-methyl-2-azabicyclo[3.1.1]heptan-2-amine.

Molecular Properties

Compound NameN-methyl-2-azabicyclo[3.1.1]heptan-2-amine
PubChem CID174322994
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-methyl-2-azabicyclo[3.1.1]heptan-2-amine
SMILESCNN1CCC2CC1C2
InChIInChI=1S/C7H14N2/c1-8-9-3-2-6-4-7(9)5-6/h6-8H,2-5H2,1H3
InChIKeyAJKJUAFAOWAZEQ-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-azabicyclo[3.1.1]heptan-2-amine?
The IUPAC name of N-methyl-2-azabicyclo[3.1.1]heptan-2-amine (CID 174322994) is N-methyl-2-azabicyclo[3.1.1]heptan-2-amine.
What is the SMILES notation for N-methyl-2-azabicyclo[3.1.1]heptan-2-amine?
The canonical SMILES for N-methyl-2-azabicyclo[3.1.1]heptan-2-amine is CNN1CCC2CC1C2.
What is the InChIKey of N-methyl-2-azabicyclo[3.1.1]heptan-2-amine?
The InChIKey is AJKJUAFAOWAZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-8-9-3-2-6-4-7(9)5-6/h6-8H,2-5H2,1H3.
What are the key properties of N-methyl-2-azabicyclo[3.1.1]heptan-2-amine?
N-methyl-2-azabicyclo[3.1.1]heptan-2-amine has a molecular weight of 126.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-azabicyclo[3.1.1]heptan-2-amine is sourced from PubChem (CID 174322994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).