1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine

C14H23N3 — CID 114057347

IUPAC1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cccnc1N1CCCC1C
InChIInChI=1S/C14H23N3/c1-3-13(15)10-12-7-4-8-16-14(12)17-9-5-6-11(17)2/h4,7-8,11,13H,3,5-6,9-10,15H2,1-2H3
InChIKeyYFCIDJAFCYHYSA-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.35
Rot. Bonds4

About 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine

1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine (PubChem CID 114057347) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
PubChem CID114057347
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cccnc1N1CCCC1C
InChIInChI=1S/C14H23N3/c1-3-13(15)10-12-7-4-8-16-14(12)17-9-5-6-11(17)2/h4,7-8,11,13H,3,5-6,9-10,15H2,1-2H3
InChIKeyYFCIDJAFCYHYSA-UHFFFAOYSA-N
XLogP2.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(2-methylpyrrolidin-1-yl)pyridine
CID 61373542
[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159
1-[5-chloro-2-(2-methylazepan-1-yl)phenyl]butan-2-amine
CID 114861727
3-[(2S)-2-methylpiperidin-1-yl]pyrazin-2-amine
CID 124676124
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228
2-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 125486842
1-[1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]butan-2-amine
CID 55237371
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62286909
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294590
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 102728402
[1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 61411243
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 102882640

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine (CID 114057347) is 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine is CCC(N)Cc1cccnc1N1CCCC1C.
What is the InChIKey of 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine?
The InChIKey is YFCIDJAFCYHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-13(15)10-12-7-4-8-16-14(12)17-9-5-6-11(17)2/h4,7-8,11,13H,3,5-6,9-10,15H2,1-2H3.
What are the key properties of 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine?
1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrrolidin-1-yl)-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 114057347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).