3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane

C14H27N3 — CID 162741768

IUPAC3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCN(CC1CCNC1)CC2
InChIInChI=1S/C14H27N3/c1-6-16-11-13(1)12-17-9-4-14(5-10-17)2-7-15-8-3-14/h13,15-16H,1-12H2
InChIKeyANVQWCKQWKGOMH-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.06
Rot. Bonds2

About 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane

3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 162741768) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
PubChem CID162741768
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESC1CC2(CCN1)CCN(CC1CCNC1)CC2
InChIInChI=1S/C14H27N3/c1-6-16-11-13(1)12-17-9-4-14(5-10-17)2-7-15-8-3-14/h13,15-16H,1-12H2
InChIKeyANVQWCKQWKGOMH-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
3-[(7-iodo-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 167091283
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 86323550
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 176985677
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 176984971

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane (CID 162741768) is 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane is C1CC2(CCN1)CCN(CC1CCNC1)CC2.
What is the InChIKey of 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is ANVQWCKQWKGOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-16-11-13(1)12-17-9-4-14(5-10-17)2-7-15-8-3-14/h13,15-16H,1-12H2.
What are the key properties of 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane?
3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 237.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 162741768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).