(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine

C7H14N2 — CID 89010700

IUPAC(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine
SMILESC[C@@H]1[C@H]2CC[C@H](C2)N1N
InChIInChI=1S/C7H14N2/c1-5-6-2-3-7(4-6)9(5)8/h5-7H,2-4,8H2,1H3/t5-,6+,7-/m1/s1
InChIKeyXBNLXILCJWCDAQ-DSYKOEDSSA-N
MW126.20 g/mol
LogP0.73
Rot. Bonds

About (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine

(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine (PubChem CID 89010700) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine
PubChem CID89010700
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine
SMILESC[C@@H]1[C@H]2CC[C@H](C2)N1N
InChIInChI=1S/C7H14N2/c1-5-6-2-3-7(4-6)9(5)8/h5-7H,2-4,8H2,1H3/t5-,6+,7-/m1/s1
InChIKeyXBNLXILCJWCDAQ-DSYKOEDSSA-N
XLogP0.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine (CID 89010700) is (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine is C[C@@H]1[C@H]2CC[C@H](C2)N1N.
What is the InChIKey of (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine?
The InChIKey is XBNLXILCJWCDAQ-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-6-2-3-7(4-6)9(5)8/h5-7H,2-4,8H2,1H3/t5-,6+,7-/m1/s1.
What are the key properties of (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine?
(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine has a molecular weight of 126.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 89010700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).