N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine

C16H27N3O — CID 115939561

IUPACN-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(N2CCCOC(C)C2)cn1
InChIInChI=1S/C16H27N3O/c1-4-15(17-5-2)16-8-7-14(11-18-16)19-9-6-10-20-13(3)12-19/h7-8,11,13,15,17H,4-6,9-10,12H2,1-3H3
InChIKeyQCMUWEYMUPNZBG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds5

About N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine

N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine (PubChem CID 115939561) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine
PubChem CID115939561
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(N2CCCOC(C)C2)cn1
InChIInChI=1S/C16H27N3O/c1-4-15(17-5-2)16-8-7-14(11-18-16)19-9-6-10-20-13(3)12-19/h7-8,11,13,15,17H,4-6,9-10,12H2,1-3H3
InChIKeyQCMUWEYMUPNZBG-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83123117
N-ethyl-1-[5-(5-ethyl-2-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 115939344
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102958934
N-ethyl-1-[5-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 112584190
N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 115939650
1-[5-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115939347
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939163
(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine
CID 114218474
4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
CID 115939614
[5-(2-methylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 115486800
3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 106587252

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine (CID 115939561) is N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine is CCNC(CC)c1ccc(N2CCCOC(C)C2)cn1.
What is the InChIKey of N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine?
The InChIKey is QCMUWEYMUPNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-15(17-5-2)16-8-7-14(11-18-16)19-9-6-10-20-13(3)12-19/h7-8,11,13,15,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine?
N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115939561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).