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

C15H25N3O — CID 62974256

IUPAC2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccnc1N1CCCOCC1
InChIInChI=1S/C15H25N3O/c1-13(2)11-16-12-14-5-3-6-17-15(14)18-7-4-9-19-10-8-18/h3,5-6,13,16H,4,7-12H2,1-2H3
InChIKeyKVQXUYFXRNZTGY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.05
Rot. Bonds5

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

2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62974256) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62974256
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccnc1N1CCCOCC1
InChIInChI=1S/C15H25N3O/c1-13(2)11-16-12-14-5-3-6-17-15(14)18-7-4-9-19-10-8-18/h3,5-6,13,16H,4,7-12H2,1-2H3
InChIKeyKVQXUYFXRNZTGY-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791
2-methyl-N-[[2-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55134819
N-[[2-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114412532
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115562080
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
N-[[2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63972016
1-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 103880534
1-(2-morpholin-4-yl-3-pyridinyl)propan-2-amine
CID 83890121
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62286909
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
CID 119047892

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine (CID 62974256) is 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cccnc1N1CCCOCC1.
What is the InChIKey of 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is KVQXUYFXRNZTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)11-16-12-14-5-3-6-17-15(14)18-7-4-9-19-10-8-18/h3,5-6,13,16H,4,7-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62974256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).