[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine

C14H23N3 — CID 113417036

IUPAC[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCCCC1CCN(Cc2ccnc(CN)c2)C1
InChIInChI=1S/C14H23N3/c1-2-3-12-5-7-17(10-12)11-13-4-6-16-14(8-13)9-15/h4,6,8,12H,2-3,5,7,9-11,15H2,1H3
InChIKeyGLFAGHIXHLUIRB-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.16
Rot. Bonds5

About [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine

[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 113417036) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID113417036
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCCCC1CCN(Cc2ccnc(CN)c2)C1
InChIInChI=1S/C14H23N3/c1-2-3-12-5-7-17(10-12)11-13-4-6-16-14(8-13)9-15/h4,6,8,12H,2-3,5,7,9-11,15H2,1H3
InChIKeyGLFAGHIXHLUIRB-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63888264
N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 112549006
[1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidin-3-yl]methanol
CID 63887461
2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
1-benzyl-3-propylpyrrolidine
CID 12648211
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883219
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 113356734
[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888635

Frequently Asked Questions

What is the IUPAC name of [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine (CID 113417036) is [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine is CCCC1CCN(Cc2ccnc(CN)c2)C1.
What is the InChIKey of [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is GLFAGHIXHLUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-3-12-5-7-17(10-12)11-13-4-6-16-14(8-13)9-15/h4,6,8,12H,2-3,5,7,9-11,15H2,1H3.
What are the key properties of [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine?
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 113417036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).