(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine

C15H25N3 — CID 124501455

IUPAC(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1cnc(N2CCCCCC2)c(C)c1
InChIInChI=1S/C15H25N3/c1-3-14(16)13-10-12(2)15(17-11-13)18-8-6-4-5-7-9-18/h10-11,14H,3-9,16H2,1-2H3/t14-/m1/s1
InChIKeyURWJXJLWFYADOL-CQSZACIVSA-N
MW247.39 g/mol
LogP3.18
Rot. Bonds3

About (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine

(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine (PubChem CID 124501455) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine
PubChem CID124501455
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1cnc(N2CCCCCC2)c(C)c1
InChIInChI=1S/C15H25N3/c1-3-14(16)13-10-12(2)15(17-11-13)18-8-6-4-5-7-9-18/h10-11,14H,3-9,16H2,1-2H3/t14-/m1/s1
InChIKeyURWJXJLWFYADOL-CQSZACIVSA-N
XLogP3.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine
CID 124501480
(5-methyl-6-piperidin-1-yl-3-pyridinyl)methanamine
CID 79885911
(1R)-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 124502902
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
4-[5-[(S)-amino(phenyl)methyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124501535
(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
CID 124501540
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
1-[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]butan-2-amine
CID 80635191
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 124501485

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine (CID 124501455) is (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine is CC[C@@H](N)c1cnc(N2CCCCCC2)c(C)c1.
What is the InChIKey of (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine?
The InChIKey is URWJXJLWFYADOL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-14(16)13-10-12(2)15(17-11-13)18-8-6-4-5-7-9-18/h10-11,14H,3-9,16H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine?
(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine is sourced from PubChem (CID 124501455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).