N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine

C19H30N2 — CID 79611594

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine
SMILESCC(C)N(CCC1CC2CCC(C1)N2)Cc1ccccc1
InChIInChI=1S/C19H30N2/c1-15(2)21(14-16-6-4-3-5-7-16)11-10-17-12-18-8-9-19(13-17)20-18/h3-7,15,17-20H,8-14H2,1-2H3
InChIKeyAQIHFFQYTXFVNG-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine (PubChem CID 79611594) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine
PubChem CID79611594
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine
SMILESCC(C)N(CCC1CC2CCC(C1)N2)Cc1ccccc1
InChIInChI=1S/C19H30N2/c1-15(2)21(14-16-6-4-3-5-7-16)11-10-17-12-18-8-9-19(13-17)20-18/h3-7,15,17-20H,8-14H2,1-2H3
InChIKeyAQIHFFQYTXFVNG-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine (CID 79611594) is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine is CC(C)N(CCC1CC2CCC(C1)N2)Cc1ccccc1.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine?
The InChIKey is AQIHFFQYTXFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)21(14-16-6-4-3-5-7-16)11-10-17-12-18-8-9-19(13-17)20-18/h3-7,15,17-20H,8-14H2,1-2H3.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine?
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine has a molecular weight of 286.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine is sourced from PubChem (CID 79611594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).