2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine

C12H26N2O — CID 62988989

IUPAC2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
SMILESCCC(CC)(CN)N1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-4-12(5-2,10-13)14-7-6-8-15-11(3)9-14/h11H,4-10,13H2,1-3H3
InChIKeyOBGYKRAMXFCFGO-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds4

About 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine

2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine (PubChem CID 62988989) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
PubChem CID62988989
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
SMILESCCC(CC)(CN)N1CCCOC(C)C1
InChIInChI=1S/C12H26N2O/c1-4-12(5-2,10-13)14-7-6-8-15-11(3)9-14/h11H,4-10,13H2,1-3H3
InChIKeyOBGYKRAMXFCFGO-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine (CID 62988989) is 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine is CCC(CC)(CN)N1CCCOC(C)C1.
What is the InChIKey of 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine?
The InChIKey is OBGYKRAMXFCFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-12(5-2,10-13)14-7-6-8-15-11(3)9-14/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine?
2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine is sourced from PubChem (CID 62988989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).