1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine

C15H29N3 — CID 63254221

IUPAC1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1C1CC2CCC(C1)N2C
InChIInChI=1S/C15H29N3/c1-11(16)15-5-3-4-8-18(15)14-9-12-6-7-13(10-14)17(12)2/h11-15H,3-10,16H2,1-2H3
InChIKeyPFSSVZLHYFDDTP-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.81
Rot. Bonds2

About 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine

1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine (PubChem CID 63254221) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine
PubChem CID63254221
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1C1CC2CCC(C1)N2C
InChIInChI=1S/C15H29N3/c1-11(16)15-5-3-4-8-18(15)14-9-12-6-7-13(10-14)17(12)2/h11-15H,3-10,16H2,1-2H3
InChIKeyPFSSVZLHYFDDTP-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine (CID 63254221) is 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine is CC(N)C1CCCCN1C1CC2CCC(C1)N2C.
What is the InChIKey of 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine?
The InChIKey is PFSSVZLHYFDDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-11(16)15-5-3-4-8-18(15)14-9-12-6-7-13(10-14)17(12)2/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine?
1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine has a molecular weight of 251.42 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 63254221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).