azane;4-cyclopropyloxan-3-amine;dihydrochloride

C8H20Cl2N2O — CID 67359568

IUPACazane;4-cyclopropyloxan-3-amine;dihydrochloride
SMILESCl.Cl.N.NC1COCCC1C1CC1
InChIInChI=1S/C8H15NO.2ClH.H3N/c9-8-5-10-4-3-7(8)6-1-2-6;;;/h6-8H,1-5,9H2;2*1H;1H3
InChIKeyPDQFZDXFHDROFB-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.77
Rot. Bonds1

About azane;4-cyclopropyloxan-3-amine;dihydrochloride

azane;4-cyclopropyloxan-3-amine;dihydrochloride (PubChem CID 67359568) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is azane;4-cyclopropyloxan-3-amine;dihydrochloride.

Molecular Properties

Compound Nameazane;4-cyclopropyloxan-3-amine;dihydrochloride
PubChem CID67359568
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Nameazane;4-cyclopropyloxan-3-amine;dihydrochloride
SMILESCl.Cl.N.NC1COCCC1C1CC1
InChIInChI=1S/C8H15NO.2ClH.H3N/c9-8-5-10-4-3-7(8)6-1-2-6;;;/h6-8H,1-5,9H2;2*1H;1H3
InChIKeyPDQFZDXFHDROFB-UHFFFAOYSA-N
XLogP1.77
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;4-cyclopropyloxan-3-amine;dihydrochloride?
The IUPAC name of azane;4-cyclopropyloxan-3-amine;dihydrochloride (CID 67359568) is azane;4-cyclopropyloxan-3-amine;dihydrochloride.
What is the SMILES notation for azane;4-cyclopropyloxan-3-amine;dihydrochloride?
The canonical SMILES for azane;4-cyclopropyloxan-3-amine;dihydrochloride is Cl.Cl.N.NC1COCCC1C1CC1.
What is the InChIKey of azane;4-cyclopropyloxan-3-amine;dihydrochloride?
The InChIKey is PDQFZDXFHDROFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.2ClH.H3N/c9-8-5-10-4-3-7(8)6-1-2-6;;;/h6-8H,1-5,9H2;2*1H;1H3.
What are the key properties of azane;4-cyclopropyloxan-3-amine;dihydrochloride?
azane;4-cyclopropyloxan-3-amine;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-cyclopropyloxan-3-amine;dihydrochloride is sourced from PubChem (CID 67359568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).