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

C15H29N3 — CID 166466704

IUPAC2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC(CN2CCC3(CC2)CN(C)C3)C1
InChIInChI=1S/C15H29N3/c1-3-6-18-10-14(11-18)9-17-7-4-15(5-8-17)12-16(2)13-15/h14H,3-13H2,1-2H3
InChIKeyKMYRGTDQRBPBAT-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.36
Rot. Bonds4

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

2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 166466704) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID166466704
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCCCN1CC(CN2CCC3(CC2)CN(C)C3)C1
InChIInChI=1S/C15H29N3/c1-3-6-18-10-14(11-18)9-17-7-4-15(5-8-17)12-16(2)13-15/h14H,3-13H2,1-2H3
InChIKeyKMYRGTDQRBPBAT-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane (CID 166466704) is 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane is CCCN1CC(CN2CCC3(CC2)CN(C)C3)C1.
What is the InChIKey of 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is KMYRGTDQRBPBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-6-18-10-14(11-18)9-17-7-4-15(5-8-17)12-16(2)13-15/h14H,3-13H2,1-2H3.
What are the key properties of 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 251.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 166466704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).