2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane

C20H38N2 — CID 129146201

IUPAC2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
SMILESCC(C)C(C)N1CC2(CC(CC(C)C3CCN(C)CC3)C2)C1
InChIInChI=1S/C20H38N2/c1-15(2)17(4)22-13-20(14-22)11-18(12-20)10-16(3)19-6-8-21(5)9-7-19/h15-19H,6-14H2,1-5H3
InChIKeyUNSYMQUJYVWIST-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.11
Rot. Bonds5

About 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane

2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane (PubChem CID 129146201) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
PubChem CID129146201
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
SMILESCC(C)C(C)N1CC2(CC(CC(C)C3CCN(C)CC3)C2)C1
InChIInChI=1S/C20H38N2/c1-15(2)17(4)22-13-20(14-22)11-18(12-20)10-16(3)19-6-8-21(5)9-7-19/h15-19H,6-14H2,1-5H3
InChIKeyUNSYMQUJYVWIST-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane with MolForge

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Related Compounds

N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
[7-(3-methylbutan-2-yl)-7-azaspiro[3.5]nonan-2-yl]methanamine
CID 170008782
2-cyclopropylpropylcyclobutane
CID 54087952
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
1-methyl-4-(2-methylpropyl)azepane
CID 123252209
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854
(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 162704145
ethane;8-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 154670982
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane (CID 129146201) is 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane is CC(C)C(C)N1CC2(CC(CC(C)C3CCN(C)CC3)C2)C1.
What is the InChIKey of 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The InChIKey is UNSYMQUJYVWIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-15(2)17(4)22-13-20(14-22)11-18(12-20)10-16(3)19-6-8-21(5)9-7-19/h15-19H,6-14H2,1-5H3.
What are the key properties of 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane has a molecular weight of 306.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 129146201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).