(1S,6S)-3-azabicyclo[4.1.0]heptane

C6H11N — CID 51606321

IUPAC(1S,6S)-3-azabicyclo[4.1.0]heptane
SMILESC1C[C@@H]2C[C@@H]2CN1
InChIInChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2/t5-,6-/m1/s1
InChIKeyMZFQJBMXUXJUHF-PHDIDXHHSA-N
MW97.16 g/mol
LogP0.62
Rot. Bonds

About (1S,6S)-3-azabicyclo[4.1.0]heptane

(1S,6S)-3-azabicyclo[4.1.0]heptane (PubChem CID 51606321) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (1S,6S)-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6S)-3-azabicyclo[4.1.0]heptane
PubChem CID51606321
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(1S,6S)-3-azabicyclo[4.1.0]heptane
SMILESC1C[C@@H]2C[C@@H]2CN1
InChIInChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2/t5-,6-/m1/s1
InChIKeyMZFQJBMXUXJUHF-PHDIDXHHSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylpiperidine
CID 202966
3-Azabicyclo(3.2.1)octane
CID 12313490
4-Methylazepane
CID 19600416
3-Azabicyclo[3.2.1]octane hydrochloride
CID 22923661
7,7-Difluoro-3-azabicyclo[4.1.0]heptane hydrochloride
CID 71656098
3-Azabicyclo[4.1.0]heptane hydrochloride
CID 74889690
1-Methyl-2-azabicyclo[4.1.0]heptane hydrochloride
CID 75994689
2-Azabicyclo[4.1.0]heptane hydrochloride
CID 86280359
3-Azabicyclo[4.1.0]heptane
CID 20521861
4-Cyclopropylpiperidine
CID 45092777
7,7-Difluoro-3-azabicyclo[4.1.0]heptane
CID 50989413
3-Cyclopropylpiperidine
CID 54082228

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6S)-3-azabicyclo[4.1.0]heptane (CID 51606321) is (1S,6S)-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6S)-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6S)-3-azabicyclo[4.1.0]heptane is C1C[C@@H]2C[C@@H]2CN1.
What is the InChIKey of (1S,6S)-3-azabicyclo[4.1.0]heptane?
The InChIKey is MZFQJBMXUXJUHF-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (1S,6S)-3-azabicyclo[4.1.0]heptane?
(1S,6S)-3-azabicyclo[4.1.0]heptane has a molecular weight of 97.16 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 51606321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).