1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride

C11H22Cl2N2 — CID 155854093

IUPAC1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride
SMILESC1CNCC2(C1)CCN2CC1CC1.Cl.Cl
InChIInChI=1S/C11H20N2.2ClH/c1-4-11(9-12-6-1)5-7-13(11)8-10-2-3-10;;/h10,12H,1-9H2;2*1H
InChIKeyBUWDOPQQQMOXOQ-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.07
Rot. Bonds2

About 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride

1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride (PubChem CID 155854093) has the molecular formula C11H22Cl2N2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride
PubChem CID155854093
Molecular FormulaC11H22Cl2N2
Molecular Weight253.22 g/mol
Exact Mass252.12
IUPAC Name1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride
SMILESC1CNCC2(C1)CCN2CC1CC1.Cl.Cl
InChIInChI=1S/C11H20N2.2ClH/c1-4-11(9-12-6-1)5-7-13(11)8-10-2-3-10;;/h10,12H,1-9H2;2*1H
InChIKeyBUWDOPQQQMOXOQ-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride (CID 155854093) is 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride is C1CNCC2(C1)CCN2CC1CC1.Cl.Cl.
What is the InChIKey of 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride?
The InChIKey is BUWDOPQQQMOXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.2ClH/c1-4-11(9-12-6-1)5-7-13(11)8-10-2-3-10;;/h10,12H,1-9H2;2*1H.
What are the key properties of 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride?
1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride has a molecular weight of 253.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1,8-diazaspiro[3.5]nonane;dihydrochloride is sourced from PubChem (CID 155854093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).