N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine

C15H25N3 — CID 112549006

IUPACN-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCCCC1CCN(Cc2cc(NCC)ccn2)C1
InChIInChI=1S/C15H25N3/c1-3-5-13-7-9-18(11-13)12-15-10-14(16-4-2)6-8-17-15/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3,(H,16,17)
InChIKeyXBTMXJGEBYOLCF-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine

N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine (PubChem CID 112549006) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
PubChem CID112549006
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
SMILESCCCC1CCN(Cc2cc(NCC)ccn2)C1
InChIInChI=1S/C15H25N3/c1-3-5-13-7-9-18(11-13)12-15-10-14(16-4-2)6-8-17-15/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3,(H,16,17)
InChIKeyXBTMXJGEBYOLCF-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79245667
[2-[(4-propylazepan-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79259924
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
N-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
CID 81200136
ethyl 1-[[4-(ethylamino)-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 79245074
1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-methylpiperidine-4-carboxamide
CID 79245258
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
CID 79244278
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine
CID 79251280
2-[[4-(ethylamino)-2-pyridinyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097574
N-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79251269
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-ethylpyridin-4-amine
CID 102728154
2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 114799922

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine (CID 112549006) is N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine is CCCC1CCN(Cc2cc(NCC)ccn2)C1.
What is the InChIKey of N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine?
The InChIKey is XBTMXJGEBYOLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-5-13-7-9-18(11-13)12-15-10-14(16-4-2)6-8-17-15/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine?
N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 112549006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).