N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine

C14H21N3 — CID 62580373

IUPACN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESc1cncc(CN2CCCC2CNC2CC2)c1
InChIInChI=1S/C14H21N3/c1-3-12(9-15-7-1)11-17-8-2-4-14(17)10-16-13-5-6-13/h1,3,7,9,13-14,16H,2,4-6,8,10-11H2
InChIKeyDIZDWJQXPISHIP-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.80
Rot. Bonds5

About N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 62580373) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID62580373
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESc1cncc(CN2CCCC2CNC2CC2)c1
InChIInChI=1S/C14H21N3/c1-3-12(9-15-7-1)11-17-8-2-4-14(17)10-16-13-5-6-13/h1,3,7,9,13-14,16H,2,4-6,8,10-11H2
InChIKeyDIZDWJQXPISHIP-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]cyclopropanamine
CID 83100511
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
CID 117028174
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine (CID 62580373) is N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine is c1cncc(CN2CCCC2CNC2CC2)c1.
What is the InChIKey of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is DIZDWJQXPISHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-12(9-15-7-1)11-17-8-2-4-14(17)10-16-13-5-6-13/h1,3,7,9,13-14,16H,2,4-6,8,10-11H2.
What are the key properties of N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62580373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).