7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane

C15H29N3 — CID 170063822

IUPAC7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane
SMILESCC(C)CN1CCC2(CCN(CC3CNC3)C2)C1
InChIInChI=1S/C15H29N3/c1-13(2)9-17-5-3-15(11-17)4-6-18(12-15)10-14-7-16-8-14/h13-14,16H,3-12H2,1-2H3
InChIKeyHDVSNFHIWNSLDQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.26
Rot. Bonds4

About 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane

7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 170063822) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane
PubChem CID170063822
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane
SMILESCC(C)CN1CCC2(CCN(CC3CNC3)C2)C1
InChIInChI=1S/C15H29N3/c1-13(2)9-17-5-3-15(11-17)4-6-18(12-15)10-14-7-16-8-14/h13-14,16H,3-12H2,1-2H3
InChIKeyHDVSNFHIWNSLDQ-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 176984971
7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
CID 172511446
3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 176985677
7-(2,2-dimethylpropyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
CID 159552741
7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane
CID 154671243
2-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 118300646
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
CID 176984836
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119

Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane (CID 170063822) is 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane is CC(C)CN1CCC2(CCN(CC3CNC3)C2)C1.
What is the InChIKey of 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is HDVSNFHIWNSLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13(2)9-17-5-3-15(11-17)4-6-18(12-15)10-14-7-16-8-14/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane?
7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 251.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 170063822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).