(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine

C7H14N2 — CID 22862086

IUPAC(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine
SMILESN[C@@H]1C[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C7H14N2/c8-7-3-5-1-2-9-4-6(5)7/h5-7,9H,1-4,8H2/t5-,6-,7+/m0/s1
InChIKeyBCVQNNYIBKSEDZ-LYFYHCNISA-N
MW126.20 g/mol
LogP-0.06
Rot. Bonds

About (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine

(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine (PubChem CID 22862086) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine.

Molecular Properties

Compound Name(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine
PubChem CID22862086
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine
SMILESN[C@@H]1C[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C7H14N2/c8-7-3-5-1-2-9-4-6(5)7/h5-7,9H,1-4,8H2/t5-,6-,7+/m0/s1
InChIKeyBCVQNNYIBKSEDZ-LYFYHCNISA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride
CID 155905230
3-azabicyclo[4.2.0]octan-7-amine
CID 21475401
(3R)-4-cyclopropylpiperidin-3-amine;dihydrochloride
CID 76844694
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
4-(diazinan-4-yl)piperidin-3-amine
CID 140644145
4-cyclopentylpiperidin-3-amine
CID 84765487
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine
CID 135184580
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine;hydrochloride
CID 135184579
(1R,6S,7R)-bicyclo[4.2.0]octan-7-amine
CID 124833630
(1S,7R)-4-azatricyclo[5.2.1.02,6]decane
CID 55254914
(4aS,7S,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-ol
CID 155904641
(3R)-3-aminopiperidin-4-ol
CID 52917019

Frequently Asked Questions

What is the IUPAC name of (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine?
The IUPAC name of (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine (CID 22862086) is (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine.
What is the SMILES notation for (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine?
The canonical SMILES for (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine is N[C@@H]1C[C@@H]2CCNC[C@@H]21.
What is the InChIKey of (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine?
The InChIKey is BCVQNNYIBKSEDZ-LYFYHCNISA-N. The full InChI is InChI=1S/C7H14N2/c8-7-3-5-1-2-9-4-6(5)7/h5-7,9H,1-4,8H2/t5-,6-,7+/m0/s1.
What are the key properties of (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine?
(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine has a molecular weight of 126.20 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine is sourced from PubChem (CID 22862086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).