1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine

C14H23N3O — CID 55153506

IUPAC1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine
SMILESCC1CN(C(c2ccccn2)C(C)N)CCCO1
InChIInChI=1S/C14H23N3O/c1-11-10-17(8-5-9-18-11)14(12(2)15)13-6-3-4-7-16-13/h3-4,6-7,11-12,14H,5,8-10,15H2,1-2H3
InChIKeyCSLHMUFOYKVIET-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.58
Rot. Bonds3

About 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine

1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine (PubChem CID 55153506) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine
PubChem CID55153506
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine
SMILESCC1CN(C(c2ccccn2)C(C)N)CCCO1
InChIInChI=1S/C14H23N3O/c1-11-10-17(8-5-9-18-11)14(12(2)15)13-6-3-4-7-16-13/h3-4,6-7,11-12,14H,5,8-10,15H2,1-2H3
InChIKeyCSLHMUFOYKVIET-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine (CID 55153506) is 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine is CC1CN(C(c2ccccn2)C(C)N)CCCO1.
What is the InChIKey of 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is CSLHMUFOYKVIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-10-17(8-5-9-18-11)14(12(2)15)13-6-3-4-7-16-13/h3-4,6-7,11-12,14H,5,8-10,15H2,1-2H3.
What are the key properties of 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine?
1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 55153506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).