N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

C18H29N3 — CID 105073329

IUPACN-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1N1CCCC1C1CCCC1
InChIInChI=1S/C18H29N3/c1-14(2)20-12-16-9-10-19-13-18(16)21-11-5-8-17(21)15-6-3-4-7-15/h9-10,13-15,17,20H,3-8,11-12H2,1-2H3
InChIKeyBMUBFVJYLVPSOE-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.74
Rot. Bonds5

About N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine

N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105073329) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105073329
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1N1CCCC1C1CCCC1
InChIInChI=1S/C18H29N3/c1-14(2)20-12-16-9-10-19-13-18(16)21-11-5-8-17(21)15-6-3-4-7-15/h9-10,13-15,17,20H,3-8,11-12H2,1-2H3
InChIKeyBMUBFVJYLVPSOE-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
(4aR,8aR)-1-[4-(chloromethyl)-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727745
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105074354
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81246932
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-2-amine
CID 62294590
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81247229
N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379535
N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 105074101
N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 106589227
N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074117
1-[3-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072555

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine (CID 105073329) is N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccncc1N1CCCC1C1CCCC1.
What is the InChIKey of N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is BMUBFVJYLVPSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)20-12-16-9-10-19-13-18(16)21-11-5-8-17(21)15-6-3-4-7-15/h9-10,13-15,17,20H,3-8,11-12H2,1-2H3.
What are the key properties of N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105073329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).