propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane

C22H45N3 — CID 155702617

IUPACpropane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CCC(CCCN2CC3CC2CN3C(C)C)CC1.CCC
InChIInChI=1S/C19H37N3.C3H8/c1-15(2)20-10-7-17(8-11-20)6-5-9-21-13-19-12-18(21)14-22(19)16(3)4;1-3-2/h15-19H,5-14H2,1-4H3;3H2,1-2H3
InChIKeyAWEABLLAIJCAFN-UHFFFAOYSA-N
MW351.62 g/mol
LogP4.47
Rot. Bonds6

About propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane

propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 155702617) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Namepropane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID155702617
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC Namepropane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CCC(CCCN2CC3CC2CN3C(C)C)CC1.CCC
InChIInChI=1S/C19H37N3.C3H8/c1-15(2)20-10-7-17(8-11-20)6-5-9-21-13-19-12-18(21)14-22(19)16(3)4;1-3-2/h15-19H,5-14H2,1-4H3;3H2,1-2H3
InChIKeyAWEABLLAIJCAFN-UHFFFAOYSA-N
XLogP4.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.62
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Related Compounds

1'-Ethyl-3-(1-pyrrolidinylmethyl)-1,4'-bipiperidine
CID 45929901
1-Methyl-4-[4-(2-methylpropyl)-1-propan-2-ylpiperidin-4-yl]piperazine
CID 59639476
1,6-Dimethyl-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 70644922
1,5,6-Trimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 88983726
2-Ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane
CID 90946425
1,2,5,6-Tetramethyl-2,5-diazabicyclo[2.2.1]heptane
CID 118281396
2-(Cyclohexylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 121477055
3-Methyl-8-(9-methyl-5-azoniaspiro[4.5]decan-8-yl)-5-azoniaspiro[4.5]decane
CID 123412003
7-Ethyl-2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane
CID 123798369
(1S,4S)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 129035491
(1S,4S)-2-heptan-2-yl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 129035519
(4S)-2-methyl-5-(6-methyltridecan-6-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 129035550

Frequently Asked Questions

What is the IUPAC name of propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane (CID 155702617) is propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CCC(CCCN2CC3CC2CN3C(C)C)CC1.CCC.
What is the InChIKey of propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is AWEABLLAIJCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3.C3H8/c1-15(2)20-10-7-17(8-11-20)6-5-9-21-13-19-12-18(21)14-22(19)16(3)4;1-3-2/h15-19H,5-14H2,1-4H3;3H2,1-2H3.
What are the key properties of propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 351.62 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 155702617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).