N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine

C16H25ClN4 — CID 79164517

IUPACN-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(N2CCC3CCC(C2)N3C)ccc1Cl
InChIInChI=1S/C16H25ClN4/c1-3-18-10-15-14(17)6-7-16(19-15)21-9-8-12-4-5-13(11-21)20(12)2/h6-7,12-13,18H,3-5,8-11H2,1-2H3
InChIKeyJSZQRRYKKIJVQA-UHFFFAOYSA-N
MW308.86 g/mol
LogP2.52
Rot. Bonds4

About N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine

N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 79164517) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID79164517
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC NameN-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(N2CCC3CCC(C2)N3C)ccc1Cl
InChIInChI=1S/C16H25ClN4/c1-3-18-10-15-14(17)6-7-16(19-15)21-9-8-12-4-5-13(11-21)20(12)2/h6-7,12-13,18H,3-5,8-11H2,1-2H3
InChIKeyJSZQRRYKKIJVQA-UHFFFAOYSA-N
XLogP2.52
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-chloro-6-(3-methoxypyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103539397
N-[[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridazin-3-yl]methyl]ethanamine
CID 79170376
1-[3-chloro-6-(3-piperidin-1-ylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 63169284
N-[[3-chloro-6-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503041
3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 80945238
N-[[3-chloro-6-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 63004009
N-[[3-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 63619764
1-[5-chloro-6-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63168757
N-[[3-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 63621290
N-[[3-chloro-6-(2-propylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 83061614
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 79170955
N-[[3-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
CID 63026350

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine (CID 79164517) is N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(N2CCC3CCC(C2)N3C)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is JSZQRRYKKIJVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-3-18-10-15-14(17)6-7-16(19-15)21-9-8-12-4-5-13(11-21)20(12)2/h6-7,12-13,18H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 308.86 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79164517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).