(2R)-2-methylbicyclo[3.1.1]heptan-2-amine

C8H15N — CID 55290522

IUPAC(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
SMILESC[C@@]1(N)CCC2CC1C2
InChIInChI=1S/C8H15N/c1-8(9)3-2-6-4-7(8)5-6/h6-7H,2-5,9H2,1H3/t6?,7?,8-/m1/s1
InChIKeyDSAFFQVARSUFAB-KAVNDROISA-N
MW125.22 g/mol
LogP1.52
Rot. Bonds

About (2R)-2-methylbicyclo[3.1.1]heptan-2-amine

(2R)-2-methylbicyclo[3.1.1]heptan-2-amine (PubChem CID 55290522) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (2R)-2-methylbicyclo[3.1.1]heptan-2-amine.

Molecular Properties

Compound Name(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
PubChem CID55290522
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(2R)-2-methylbicyclo[3.1.1]heptan-2-amine
SMILESC[C@@]1(N)CCC2CC1C2
InChIInChI=1S/C8H15N/c1-8(9)3-2-6-4-7(8)5-6/h6-7H,2-5,9H2,1H3/t6?,7?,8-/m1/s1
InChIKeyDSAFFQVARSUFAB-KAVNDROISA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylbicyclo[3.1.1]heptan-2-amine?
The IUPAC name of (2R)-2-methylbicyclo[3.1.1]heptan-2-amine (CID 55290522) is (2R)-2-methylbicyclo[3.1.1]heptan-2-amine.
What is the SMILES notation for (2R)-2-methylbicyclo[3.1.1]heptan-2-amine?
The canonical SMILES for (2R)-2-methylbicyclo[3.1.1]heptan-2-amine is C[C@@]1(N)CCC2CC1C2.
What is the InChIKey of (2R)-2-methylbicyclo[3.1.1]heptan-2-amine?
The InChIKey is DSAFFQVARSUFAB-KAVNDROISA-N. The full InChI is InChI=1S/C8H15N/c1-8(9)3-2-6-4-7(8)5-6/h6-7H,2-5,9H2,1H3/t6?,7?,8-/m1/s1.
What are the key properties of (2R)-2-methylbicyclo[3.1.1]heptan-2-amine?
(2R)-2-methylbicyclo[3.1.1]heptan-2-amine has a molecular weight of 125.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylbicyclo[3.1.1]heptan-2-amine is sourced from PubChem (CID 55290522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).