8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C15H29N3 — CID 65077683

IUPAC8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN1CCCC(N2C3CCC2CC(N)C3)CC1
InChIInChI=1S/C15H29N3/c1-2-17-8-3-4-13(7-9-17)18-14-5-6-15(18)11-12(16)10-14/h12-15H,2-11,16H2,1H3
InChIKeyQOWJMGKXKARPRT-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.81
Rot. Bonds2

About 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 65077683) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID65077683
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN1CCCC(N2C3CCC2CC(N)C3)CC1
InChIInChI=1S/C15H29N3/c1-2-17-8-3-4-13(7-9-17)18-14-5-6-15(18)11-12(16)10-14/h12-15H,2-11,16H2,1H3
InChIKeyQOWJMGKXKARPRT-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 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 65077683) is 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCN1CCCC(N2C3CCC2CC(N)C3)CC1.
What is the InChIKey of 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QOWJMGKXKARPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-17-8-3-4-13(7-9-17)18-14-5-6-15(18)11-12(16)10-14/h12-15H,2-11,16H2,1H3.
What are the key properties of 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine 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 8-(1-ethylazepan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 65077683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).