(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine

C8H17N3 — CID 155418933

IUPAC(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine
SMILESCC(C)N1C2C[C@@H]1CN(N)C2
InChIInChI=1S/C8H17N3/c1-6(2)11-7-3-8(11)5-10(9)4-7/h6-8H,3-5,9H2,1-2H3/t7-,8?/m1/s1
InChIKeyPQIHLABKMFREJG-GVHYBUMESA-N
MW155.25 g/mol
LogP0.03
Rot. Bonds1

About (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine

(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine (PubChem CID 155418933) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound Name(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine
PubChem CID155418933
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine
SMILESCC(C)N1C2C[C@@H]1CN(N)C2
InChIInChI=1S/C8H17N3/c1-6(2)11-7-3-8(11)5-10(9)4-7/h6-8H,3-5,9H2,1-2H3/t7-,8?/m1/s1
InChIKeyPQIHLABKMFREJG-GVHYBUMESA-N
XLogP0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine?
The IUPAC name of (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine (CID 155418933) is (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine is CC(C)N1C2C[C@@H]1CN(N)C2.
What is the InChIKey of (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine?
The InChIKey is PQIHLABKMFREJG-GVHYBUMESA-N. The full InChI is InChI=1S/C8H17N3/c1-6(2)11-7-3-8(11)5-10(9)4-7/h6-8H,3-5,9H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine?
(5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine has a molecular weight of 155.25 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 155418933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).