(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine

C14H23N3O — CID 114218474

IUPAC(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine
SMILESCCC1CN(c2ccc([C@@H](C)N)nc2)CCCO1
InChIInChI=1S/C14H23N3O/c1-3-13-10-17(7-4-8-18-13)12-5-6-14(11(2)15)16-9-12/h5-6,9,11,13H,3-4,7-8,10,15H2,1-2H3/t11-,13?/m1/s1
InChIKeyVELWAOAJWBRBCX-JTDNENJMSA-N
MW249.36 g/mol
LogP2.11
Rot. Bonds3

About (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine

(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine (PubChem CID 114218474) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine
PubChem CID114218474
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine
SMILESCCC1CN(c2ccc([C@@H](C)N)nc2)CCCO1
InChIInChI=1S/C14H23N3O/c1-3-13-10-17(7-4-8-18-13)12-5-6-14(11(2)15)16-9-12/h5-6,9,11,13H,3-4,7-8,10,15H2,1-2H3/t11-,13?/m1/s1
InChIKeyVELWAOAJWBRBCX-JTDNENJMSA-N
XLogP2.11
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
CID 83123042
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
1-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 103496947
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 83127877
1-[6-[(1R)-1-aminoethyl]-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 83126913
1-[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]ethanamine
CID 83127327
N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83123117
(1R)-1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83122530
(1S)-1-[5-(4-methylazepan-1-yl)-2-pyridinyl]ethanamine
CID 83127542
(1S)-1-[5-(3,3-dimethylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83127547
1-[4-(2-ethyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 114218460
1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626037

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine (CID 114218474) is (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine is CCC1CN(c2ccc([C@@H](C)N)nc2)CCCO1.
What is the InChIKey of (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine?
The InChIKey is VELWAOAJWBRBCX-JTDNENJMSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-13-10-17(7-4-8-18-13)12-5-6-14(11(2)15)16-9-12/h5-6,9,11,13H,3-4,7-8,10,15H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine?
(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 114218474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).