N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine

C16H33N3 — CID 106039612

IUPACN-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CCCN(C)C(C)C
InChIInChI=1S/C16H33N3/c1-5-17-14-11-15-7-8-16(12-14)19(15)10-6-9-18(4)13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyJPQZPKAYTDGHIP-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds7

About N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106039612) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106039612
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CCCN(C)C(C)C
InChIInChI=1S/C16H33N3/c1-5-17-14-11-15-7-8-16(12-14)19(15)10-6-9-18(4)13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyJPQZPKAYTDGHIP-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 106039612) is N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2CCCN(C)C(C)C.
What is the InChIKey of N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JPQZPKAYTDGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-17-14-11-15-7-8-16(12-14)19(15)10-6-9-18(4)13(2)3/h13-17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-[3-[methyl(propan-2-yl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106039612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).