N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine

C21H28N4 — CID 120836616

IUPACN-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(c1ccccc1)c1ccc(CN(C)C2CC3CCC(C2)N3)cn1
InChIInChI=1S/C21H28N4/c1-24(20-12-17-9-10-18(13-20)23-17)15-16-8-11-21(22-14-16)25(2)19-6-4-3-5-7-19/h3-8,11,14,17-18,20,23H,9-10,12-13,15H2,1-2H3
InChIKeyDPZVAFHYMJBVNL-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.56
Rot. Bonds5

About N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 120836616) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID120836616
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC NameN-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(c1ccccc1)c1ccc(CN(C)C2CC3CCC(C2)N3)cn1
InChIInChI=1S/C21H28N4/c1-24(20-12-17-9-10-18(13-20)23-17)15-16-8-11-21(22-14-16)25(2)19-6-4-3-5-7-19/h3-8,11,14,17-18,20,23H,9-10,12-13,15H2,1-2H3
InChIKeyDPZVAFHYMJBVNL-UHFFFAOYSA-N
XLogP3.56
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 120836616) is N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine is CN(c1ccccc1)c1ccc(CN(C)C2CC3CCC(C2)N3)cn1.
What is the InChIKey of N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is DPZVAFHYMJBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-24(20-12-17-9-10-18(13-20)23-17)15-16-8-11-21(22-14-16)25(2)19-6-4-3-5-7-19/h3-8,11,14,17-18,20,23H,9-10,12-13,15H2,1-2H3.
What are the key properties of N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 336.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 120836616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).