N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine

C15H25N3 — CID 81247593

IUPACN-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCCC1C(C)C
InChIInChI=1S/C15H25N3/c1-4-16-10-13-11-17-8-7-15(13)18-9-5-6-14(18)12(2)3/h7-8,11-12,14,16H,4-6,9-10H2,1-3H3
InChIKeyULQZWXJISIZEDD-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.82
Rot. Bonds5

About N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81247593) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81247593
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCCC1C(C)C
InChIInChI=1S/C15H25N3/c1-4-16-10-13-11-17-8-7-15(13)18-9-5-6-14(18)12(2)3/h7-8,11-12,14,16H,4-6,9-10H2,1-3H3
InChIKeyULQZWXJISIZEDD-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248148
N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074117
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81248433
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81247402
N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247994
N-[[4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 81254486
N-[[3-chloro-4-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 81149874
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247739
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 81247593) is N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1N1CCCC1C(C)C.
What is the InChIKey of N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is ULQZWXJISIZEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-16-10-13-11-17-8-7-15(13)18-9-5-6-14(18)12(2)3/h7-8,11-12,14,16H,4-6,9-10H2,1-3H3.
What are the key properties of N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81247593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).