2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

C16H31N3 — CID 174168119

IUPAC2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CN(C[C@H]1CCN(C)C1)C2
InChIInChI=1S/C16H31N3/c1-14(2)19-8-5-16(6-9-19)12-18(13-16)11-15-4-7-17(3)10-15/h14-15H,4-13H2,1-3H3/t15-/m0/s1
InChIKeyCKCBNWAQKSCRAE-HNNXBMFYSA-N
MW265.44 g/mol
LogP1.74
Rot. Bonds3

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

2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 174168119) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID174168119
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CN(C[C@H]1CCN(C)C1)C2
InChIInChI=1S/C16H31N3/c1-14(2)19-8-5-16(6-9-19)12-18(13-16)11-15-4-7-17(3)10-15/h14-15H,4-13H2,1-3H3/t15-/m0/s1
InChIKeyCKCBNWAQKSCRAE-HNNXBMFYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 170666585
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
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
7-[[1-(2-methylpentyl)cyclopropyl]methyl]-2-[(1-methylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174274966
ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 156836674
6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 174168119) is 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is CC(C)N1CCC2(CC1)CN(C[C@H]1CCN(C)C1)C2.
What is the InChIKey of 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is CKCBNWAQKSCRAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)19-8-5-16(6-9-19)12-18(13-16)11-15-4-7-17(3)10-15/h14-15H,4-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 265.44 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 174168119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).