N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

C15H25N3 — CID 106906886

IUPACN-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCC(C)(C)C2)n1
InChIInChI=1S/C15H25N3/c1-4-16-10-13-6-5-7-14(17-13)11-18-9-8-15(2,3)12-18/h5-7,16H,4,8-12H2,1-3H3
InChIKeyKVPWHAGLZBKCER-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.42
Rot. Bonds5

About N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106906886) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106906886
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCC(C)(C)C2)n1
InChIInChI=1S/C15H25N3/c1-4-16-10-13-6-5-7-14(17-13)11-18-9-8-15(2,3)12-18/h5-7,16H,4,8-12H2,1-3H3
InChIKeyKVPWHAGLZBKCER-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906516
N-[[6-[(3,3,4-trimethylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906588
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
N-[[6-[(4-cyclopropylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905371
N-[[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906497
N-[[6-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106906436
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234596
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728462
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
N-[[6-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106905404

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine (CID 106906886) is N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(CN2CCC(C)(C)C2)n1.
What is the InChIKey of N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is KVPWHAGLZBKCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-16-10-13-6-5-7-14(17-13)11-18-9-8-15(2,3)12-18/h5-7,16H,4,8-12H2,1-3H3.
What are the key properties of N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106906886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).