8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C14H29N3 — CID 55107250

IUPAC8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC(C)N(C)C
InChIInChI=1S/C14H29N3/c1-5-15-12-8-13-6-7-14(9-12)17(13)10-11(2)16(3)4/h11-15H,5-10H2,1-4H3
InChIKeyXKCQPHULABENTK-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds5

About 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55107250) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55107250
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CC(C)N(C)C
InChIInChI=1S/C14H29N3/c1-5-15-12-8-13-6-7-14(9-12)17(13)10-11(2)16(3)4/h11-15H,5-10H2,1-4H3
InChIKeyXKCQPHULABENTK-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55107250) is 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2CC(C)N(C)C.
What is the InChIKey of 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XKCQPHULABENTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-15-12-8-13-6-7-14(9-12)17(13)10-11(2)16(3)4/h11-15H,5-10H2,1-4H3.
What are the key properties of 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55107250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).