(1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine

C7H14N2 — CID 131858389

IUPAC(1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC1[C@H]2CNC[C@@H]1C2N
InChIInChI=1S/C7H14N2/c1-4-5-2-9-3-6(4)7(5)8/h4-7,9H,2-3,8H2,1H3/t4?,5-,6+,7?
InChIKeyWOXHLXZZRRPIRJ-ICQZWEGKSA-N
MW126.20 g/mol
LogP-0.20
Rot. Bonds

About (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine

(1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 131858389) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name(1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID131858389
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC1[C@H]2CNC[C@@H]1C2N
InChIInChI=1S/C7H14N2/c1-4-5-2-9-3-6(4)7(5)8/h4-7,9H,2-3,8H2,1H3/t4?,5-,6+,7?
InChIKeyWOXHLXZZRRPIRJ-ICQZWEGKSA-N
XLogP-0.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine (CID 131858389) is (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine is CC1[C@H]2CNC[C@@H]1C2N.
What is the InChIKey of (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is WOXHLXZZRRPIRJ-ICQZWEGKSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-2-9-3-6(4)7(5)8/h4-7,9H,2-3,8H2,1H3/t4?,5-,6+,7?.
What are the key properties of (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine?
(1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 126.20 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 131858389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).