2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine

C17H27N3 — CID 79175124

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CCC3CCC(C2)N3C)cc1
InChIInChI=1S/C17H27N3/c1-13-3-5-14(6-4-13)17(11-18)20-10-9-15-7-8-16(12-20)19(15)2/h3-6,15-17H,7-12,18H2,1-2H3
InChIKeyFPSVWKISAIUYHT-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.16
Rot. Bonds3

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine (PubChem CID 79175124) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
PubChem CID79175124
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CCC3CCC(C2)N3C)cc1
InChIInChI=1S/C17H27N3/c1-13-3-5-14(6-4-13)17(11-18)20-10-9-15-7-8-16(12-20)19(15)2/h3-6,15-17H,7-12,18H2,1-2H3
InChIKeyFPSVWKISAIUYHT-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175047
2-(3,4-dichlorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79166030
2-(3-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174272
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-thiophen-2-ylethanamine
CID 79174673
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile
CID 79674167

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine (CID 79175124) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine is Cc1ccc(C(CN)N2CCC3CCC(C2)N3C)cc1.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine?
The InChIKey is FPSVWKISAIUYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-3-5-14(6-4-13)17(11-18)20-10-9-15-7-8-16(12-20)19(15)2/h3-6,15-17H,7-12,18H2,1-2H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 79175124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).