(1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine

C13H21N3O — CID 114056129

IUPAC(1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine
SMILESCC1CN(c2ncccc2[C@@H](C)N)CCCO1
InChIInChI=1S/C13H21N3O/c1-10-9-16(7-4-8-17-10)13-12(11(2)14)5-3-6-15-13/h3,5-6,10-11H,4,7-9,14H2,1-2H3/t10?,11-/m1/s1
InChIKeyVZWBUZBCETXMAH-RRKGBCIJSA-N
MW235.33 g/mol
LogP1.72
Rot. Bonds2

About (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine

(1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine (PubChem CID 114056129) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine
PubChem CID114056129
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine
SMILESCC1CN(c2ncccc2[C@@H](C)N)CCCO1
InChIInChI=1S/C13H21N3O/c1-10-9-16(7-4-8-17-10)13-12(11(2)14)5-3-6-15-13/h3,5-6,10-11H,4,7-9,14H2,1-2H3/t10?,11-/m1/s1
InChIKeyVZWBUZBCETXMAH-RRKGBCIJSA-N
XLogP1.72
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine (CID 114056129) is (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine is CC1CN(c2ncccc2[C@@H](C)N)CCCO1.
What is the InChIKey of (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine?
The InChIKey is VZWBUZBCETXMAH-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-16(7-4-8-17-10)13-12(11(2)14)5-3-6-15-13/h3,5-6,10-11H,4,7-9,14H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine?
(1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).