2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane

C17H33N3 — CID 155599548

IUPAC2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC(CN2CCC3(CC2)CN(C(C)C)C3)C1
InChIInChI=1S/C17H33N3/c1-4-7-19-11-16(12-19)10-18-8-5-17(6-9-18)13-20(14-17)15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyZSWXXFSQAMDOQB-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.13
Rot. Bonds5

About 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane

2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 155599548) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID155599548
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC(CN2CCC3(CC2)CN(C(C)C)C3)C1
InChIInChI=1S/C17H33N3/c1-4-7-19-11-16(12-19)10-18-8-5-17(6-9-18)13-20(14-17)15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyZSWXXFSQAMDOQB-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 166466704
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
(1-propan-2-ylazetidin-3-yl)-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 170185292
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 167417400
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane (CID 155599548) is 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane is CCCN1CC(CN2CCC3(CC2)CN(C(C)C)C3)C1.
What is the InChIKey of 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is ZSWXXFSQAMDOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-7-19-11-16(12-19)10-18-8-5-17(6-9-18)13-20(14-17)15(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 279.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 155599548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).