4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one

C21H40N2O — CID 166800698

IUPAC4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one
SMILESCCCC(C)CN1CCC2(CC1)CN(C(=O)CCC(C)(C)CC)C2
InChIInChI=1S/C21H40N2O/c1-6-8-18(3)15-22-13-11-21(12-14-22)16-23(17-21)19(24)9-10-20(4,5)7-2/h18H,6-17H2,1-5H3
InChIKeyZSGMQSBJKIFLOT-UHFFFAOYSA-N
MW336.56 g/mol
LogP4.56
Rot. Bonds8

About 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one

4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one (PubChem CID 166800698) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one
PubChem CID166800698
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one
SMILESCCCC(C)CN1CCC2(CC1)CN(C(=O)CCC(C)(C)CC)C2
InChIInChI=1S/C21H40N2O/c1-6-8-18(3)15-22-13-11-21(12-14-22)16-23(17-21)19(24)9-10-20(4,5)7-2/h18H,6-17H2,1-5H3
InChIKeyZSGMQSBJKIFLOT-UHFFFAOYSA-N
XLogP4.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one with MolForge

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Related Compounds

1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone
CID 166733131
4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one
CID 170065017
4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 157048753
4-methyl-1-[9-(2-methylheptyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 166678947
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one
CID 145404490
2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
CID 155404886
[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 170185294
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916
5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 164720078

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one?
The IUPAC name of 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one (CID 166800698) is 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one?
The canonical SMILES for 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one is CCCC(C)CN1CCC2(CC1)CN(C(=O)CCC(C)(C)CC)C2.
What is the InChIKey of 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one?
The InChIKey is ZSGMQSBJKIFLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-6-8-18(3)15-22-13-11-21(12-14-22)16-23(17-21)19(24)9-10-20(4,5)7-2/h18H,6-17H2,1-5H3.
What are the key properties of 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one?
4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one has a molecular weight of 336.56 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one is sourced from PubChem (CID 166800698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).