7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane

C15H29N3 — CID 172511446

IUPAC7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1CC2(CCN(CC3CNC3)CC2)C1
InChIInChI=1S/C15H29N3/c1-14(2,3)18-11-15(12-18)4-6-17(7-5-15)10-13-8-16-9-13/h13,16H,4-12H2,1-3H3
InChIKeyLXGNOVXWAKFMTF-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.40
Rot. Bonds2

About 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane

7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane (PubChem CID 172511446) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
PubChem CID172511446
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)(C)N1CC2(CCN(CC3CNC3)CC2)C1
InChIInChI=1S/C15H29N3/c1-14(2,3)18-11-15(12-18)4-6-17(7-5-15)10-13-8-16-9-13/h13,16H,4-12H2,1-3H3
InChIKeyLXGNOVXWAKFMTF-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-7-[(4-tert-butylpiperazin-1-yl)methyl]-2-azaspiro[3.5]nonane
CID 176795458
7-(azetidin-3-ylmethyl)-2-(2-methylpropyl)-2,7-diazaspiro[4.4]nonane
CID 170063822
3-(azetidin-3-ylmethyl)-9-ethyl-3-azaspiro[5.5]undecane
CID 176985677
2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 176984971
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
2-tert-butyl-7-(3,3-dimethylbutyl)-2,7-diazaspiro[3.4]octane
CID 153485931
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one
CID 168726993
2-tert-butyl-8-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decane
CID 153486080
1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
CID 156885601
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810

Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane (CID 172511446) is 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane is CC(C)(C)N1CC2(CCN(CC3CNC3)CC2)C1.
What is the InChIKey of 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is LXGNOVXWAKFMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-14(2,3)18-11-15(12-18)4-6-17(7-5-15)10-13-8-16-9-13/h13,16H,4-12H2,1-3H3.
What are the key properties of 7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane?
7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 251.42 g/mol, XLogP of 1.40, 2 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-tert-butyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 172511446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).