2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane

C15H29N3 — CID 167417706

IUPAC2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC(CN2CC3(C2)CN(C(C)C)C3)C1
InChIInChI=1S/C15H29N3/c1-12(2)17-6-14(7-17)5-16-8-15(9-16)10-18(11-15)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyUSAJXXXXDTVHPW-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.35
Rot. Bonds4

About 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane

2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 167417706) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID167417706
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC(CN2CC3(C2)CN(C(C)C)C3)C1
InChIInChI=1S/C15H29N3/c1-12(2)17-6-14(7-17)5-16-8-15(9-16)10-18(11-15)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyUSAJXXXXDTVHPW-UHFFFAOYSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 170666585
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
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
3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 170373804
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155599548
6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 171070135
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 157227822
(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 162704145

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 167417706) is 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane is CC(C)N1CC(CN2CC3(C2)CN(C(C)C)C3)C1.
What is the InChIKey of 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is USAJXXXXDTVHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)17-6-14(7-17)5-16-8-15(9-16)10-18(11-15)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane?
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 251.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 167417706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).