1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone

C16H31N3O — CID 155404886

IUPAC1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
SMILESCC(C)CN1CCC2(CC1)CN(C(=O)CNC(C)C)C2
InChIInChI=1S/C16H31N3O/c1-13(2)10-18-7-5-16(6-8-18)11-19(12-16)15(20)9-17-14(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyFIIUDZDPSBPLCN-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds5

About 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone

1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone (PubChem CID 155404886) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
PubChem CID155404886
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
SMILESCC(C)CN1CCC2(CC1)CN(C(=O)CNC(C)C)C2
InChIInChI=1S/C16H31N3O/c1-13(2)10-18-7-5-16(6-8-18)11-19(12-16)15(20)9-17-14(3)4/h13-14,17H,5-12H2,1-4H3
InChIKeyFIIUDZDPSBPLCN-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215
1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone
CID 166733131
2-(propan-2-ylamino)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 156517459
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916
2,8-bis(2-methylpropyl)-2,8-diazaspiro[4.5]decane
CID 129193421
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107220230
[(3S)-1-ethyl-4,4-dimethylpyrrolidin-3-yl]-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 170185294
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
N-methyl-2-(2-methylpropyl)-2,8-diazaspiro[3.5]nonane-8-carboxamide
CID 176647703
4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one
CID 170953549
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107218906

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone (CID 155404886) is 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone is CC(C)CN1CCC2(CC1)CN(C(=O)CNC(C)C)C2.
What is the InChIKey of 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone?
The InChIKey is FIIUDZDPSBPLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)10-18-7-5-16(6-8-18)11-19(12-16)15(20)9-17-14(3)4/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone?
1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 155404886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).