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

C19H37N3 — CID 155184442

IUPAC2-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
InChIInChI=1S/C19H37N3/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/h15-19H,5-14H2,1-4H3
InChIKeyJIGGNPSTQKFLOP-UHFFFAOYSA-N
MW307.53 g/mol
LogP3.05
Rot. Bonds6

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

2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 155184442) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID155184442
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name2-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
InChIInChI=1S/C19H37N3/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/h15-19H,5-14H2,1-4H3
InChIKeyJIGGNPSTQKFLOP-UHFFFAOYSA-N
XLogP3.05
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane (CID 155184442) is 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 2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 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.
What is the InChIKey of 2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is JIGGNPSTQKFLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/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/h15-19H,5-14H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
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 307.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 155184442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).