2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine

C14H23N3 — CID 177189178

IUPAC2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCCCCC1CCCN1Cc1cc(N)ccn1
InChIInChI=1S/C14H23N3/c1-2-3-5-14-6-4-9-17(14)11-13-10-12(15)7-8-16-13/h7-8,10,14H,2-6,9,11H2,1H3,(H2,15,16)
InChIKeyPAJUWAQQOBRWTF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.82
Rot. Bonds5

About 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine

2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine (PubChem CID 177189178) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine
PubChem CID177189178
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCCCCC1CCCN1Cc1cc(N)ccn1
InChIInChI=1S/C14H23N3/c1-2-3-5-14-6-4-9-17(14)11-13-10-12(15)7-8-16-13/h7-8,10,14H,2-6,9,11H2,1H3,(H2,15,16)
InChIKeyPAJUWAQQOBRWTF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 83053677
1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 79244972
[2-[(2-ethylpiperidin-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79260107
2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine
CID 79251366
2-(azepan-1-ylmethyl)pyridin-4-amine
CID 79244961
[1-[(4-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 79260186
2-[[(2R)-2-[(2R)-1-[[4-(dimethylamino)-2-pyridinyl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-4-amine
CID 90164810
[5-[[(2R)-2-butylpyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 95144576
[5-[(2-butylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 50981707
2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
CID 79251522
2-methyl-4-[2-[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
CID 124942258
[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115527317

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine (CID 177189178) is 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine is CCCCC1CCCN1Cc1cc(N)ccn1.
What is the InChIKey of 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The InChIKey is PAJUWAQQOBRWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-3-5-14-6-4-9-17(14)11-13-10-12(15)7-8-16-13/h7-8,10,14H,2-6,9,11H2,1H3,(H2,15,16).
What are the key properties of 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine?
2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butylpyrrolidin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 177189178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).