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

C16H27N3 — CID 105074117

IUPACN-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1N1CCCC1C(C)C
InChIInChI=1S/C16H27N3/c1-4-8-17-11-14-7-9-18-12-16(14)19-10-5-6-15(19)13(2)3/h7,9,12-13,15,17H,4-6,8,10-11H2,1-3H3
InChIKeyBCUMDGRVEQBYMX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds6

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

N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105074117) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID105074117
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccncc1N1CCCC1C(C)C
InChIInChI=1S/C16H27N3/c1-4-8-17-11-14-7-9-18-12-16(14)19-10-5-6-15(19)13(2)3/h7,9,12-13,15,17H,4-6,8,10-11H2,1-3H3
InChIKeyBCUMDGRVEQBYMX-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247593
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073921
[4-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81248148
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
N-[[3-(3-ethoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073711
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-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073329
N-[[3-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105074740
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
1-[3-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072555
N-[[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 105073347

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 105074117) is N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccncc1N1CCCC1C(C)C.
What is the InChIKey of N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is BCUMDGRVEQBYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-8-17-11-14-7-9-18-12-16(14)19-10-5-6-15(19)13(2)3/h7,9,12-13,15,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-propan-2-ylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105074117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).