N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C18H27N3 — CID 62294591

IUPACN-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1cnc(N2CCCC2C2CCCC2)c(CNC2CC2)c1
InChIInChI=1S/C18H27N3/c1-2-6-14(5-1)17-8-4-12-21(17)18-15(7-3-11-19-18)13-20-16-9-10-16/h3,7,11,14,16-17,20H,1-2,4-6,8-10,12-13H2
InChIKeyDTGPLDGWGKXWEV-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.49
Rot. Bonds5

About N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62294591) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62294591
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESc1cnc(N2CCCC2C2CCCC2)c(CNC2CC2)c1
InChIInChI=1S/C18H27N3/c1-2-6-14(5-1)17-8-4-12-21(17)18-15(7-3-11-19-18)13-20-16-9-10-16/h3,7,11,14,16-17,20H,1-2,4-6,8-10,12-13H2
InChIKeyDTGPLDGWGKXWEV-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 82752978
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
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294414
1-[3-(chloromethyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319793
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 107381002
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-chloro-4-pyridinyl]methanamine
CID 107055207
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
N-[[2-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283293

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62294591) is N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is c1cnc(N2CCCC2C2CCCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DTGPLDGWGKXWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-6-14(5-1)17-8-4-12-21(17)18-15(7-3-11-19-18)13-20-16-9-10-16/h3,7,11,14,16-17,20H,1-2,4-6,8-10,12-13H2.
What are the key properties of N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62294591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).