1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

C17H32N2O — CID 155405276

IUPAC1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(CCCC(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O/c1-15(2)5-4-10-18-11-6-17(7-12-18)8-13-19(14-9-17)16(3)20/h15H,4-14H2,1-3H3
InChIKeyBCIDDDOQNRCNQP-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds4

About 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 155405276) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
PubChem CID155405276
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCC(=O)N1CCC2(CCN(CCCC(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O/c1-15(2)5-4-10-18-11-6-17(7-12-18)8-13-19(14-9-17)16(3)20/h15H,4-14H2,1-3H3
InChIKeyBCIDDDOQNRCNQP-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (CID 155405276) is 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is CC(=O)N1CCC2(CCN(CCCC(C)C)CC2)CC1.
What is the InChIKey of 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is BCIDDDOQNRCNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-15(2)5-4-10-18-11-6-17(7-12-18)8-13-19(14-9-17)16(3)20/h15H,4-14H2,1-3H3.
What are the key properties of 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(4-methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 155405276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).