2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride

C14H29Cl2N3 — CID 167985563

IUPAC2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride
SMILESC1CNCC2(C1)CCN(CCC1CCNC1)C2.Cl.Cl
InChIInChI=1S/C14H27N3.2ClH/c1-4-14(11-16-6-1)5-9-17(12-14)8-3-13-2-7-15-10-13;;/h13,15-16H,1-12H2;2*1H
InChIKeyADJNBRSNBUYRNJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride

2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 167985563) has the molecular formula C14H29Cl2N3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride
PubChem CID167985563
Molecular FormulaC14H29Cl2N3
Molecular Weight310.31 g/mol
Exact Mass309.17
IUPAC Name2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride
SMILESC1CNCC2(C1)CCN(CCC1CCNC1)C2.Cl.Cl
InChIInChI=1S/C14H27N3.2ClH/c1-4-14(11-16-6-1)5-9-17(12-14)8-3-13-2-7-15-10-13;;/h13,15-16H,1-12H2;2*1H
InChIKeyADJNBRSNBUYRNJ-UHFFFAOYSA-N
XLogP1.91
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065
3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
CID 116991563
2-(2,9-diazaspiro[4.5]decan-2-yl)ethanamine
CID 130608102
8-(3-piperidin-3-ylpropyl)-8-azaspiro[4.5]decane
CID 63161199
2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849456
3-methyl-1-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 114082034
2-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 128922534
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
CID 56831674
2-(2,8-diazaspiro[3.5]nonan-2-ylmethyl)-7-methyl-2,7-diazaspiro[3.5]nonane
CID 138702675
2-(3-ethoxypropyl)-2,8-diazaspiro[5.5]undecane
CID 102850195
6-(2,8-diazaspiro[5.5]undecan-2-yl)hexan-1-ol
CID 107705688
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 162741768

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride (CID 167985563) is 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride is C1CNCC2(C1)CCN(CCC1CCNC1)C2.Cl.Cl.
What is the InChIKey of 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is ADJNBRSNBUYRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.2ClH/c1-4-14(11-16-6-1)5-9-17(12-14)8-3-13-2-7-15-10-13;;/h13,15-16H,1-12H2;2*1H.
What are the key properties of 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride?
2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 310.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-3-ylethyl)-2,9-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 167985563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).