1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine

C14H21N3 — CID 54920855

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CNCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H21N3/c1-2-12(8-15-6-1)9-16-10-13-5-7-17(11-13)14-3-4-14/h1-2,6,8,13-14,16H,3-5,7,9-11H2
InChIKeyHDIHFEIVBGPUDQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.66
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 54920855) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID54920855
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CNCC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H21N3/c1-2-12(8-15-6-1)9-16-10-13-5-7-17(11-13)14-3-4-14/h1-2,6,8,13-14,16H,3-5,7,9-11H2
InChIKeyHDIHFEIVBGPUDQ-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 79969166
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54920898
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-difluorophenyl)methyl]methanamine
CID 54881039
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 119034515
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60762346
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95539325
(3R)-1-[1-(3-hydroxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95215208

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine (CID 54920855) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine is c1cncc(CNCC2CCN(C3CC3)C2)c1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is HDIHFEIVBGPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-12(8-15-6-1)9-16-10-13-5-7-17(11-13)14-3-4-14/h1-2,6,8,13-14,16H,3-5,7,9-11H2.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 231.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 54920855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).