4-(2-ethylbutyl)oxepan-4-amine

C12H25NO — CID 82920878

IUPAC4-(2-ethylbutyl)oxepan-4-amine
SMILESCCC(CC)CC1(N)CCCOCC1
InChIInChI=1S/C12H25NO/c1-3-11(4-2)10-12(13)6-5-8-14-9-7-12/h11H,3-10,13H2,1-2H3
InChIKeyFTUJAQSTGQMIAH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds4

About 4-(2-ethylbutyl)oxepan-4-amine

4-(2-ethylbutyl)oxepan-4-amine (PubChem CID 82920878) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(2-ethylbutyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(2-ethylbutyl)oxepan-4-amine
PubChem CID82920878
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(2-ethylbutyl)oxepan-4-amine
SMILESCCC(CC)CC1(N)CCCOCC1
InChIInChI=1S/C12H25NO/c1-3-11(4-2)10-12(13)6-5-8-14-9-7-12/h11H,3-10,13H2,1-2H3
InChIKeyFTUJAQSTGQMIAH-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)oxepan-4-amine?
The IUPAC name of 4-(2-ethylbutyl)oxepan-4-amine (CID 82920878) is 4-(2-ethylbutyl)oxepan-4-amine.
What is the SMILES notation for 4-(2-ethylbutyl)oxepan-4-amine?
The canonical SMILES for 4-(2-ethylbutyl)oxepan-4-amine is CCC(CC)CC1(N)CCCOCC1.
What is the InChIKey of 4-(2-ethylbutyl)oxepan-4-amine?
The InChIKey is FTUJAQSTGQMIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11(4-2)10-12(13)6-5-8-14-9-7-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 4-(2-ethylbutyl)oxepan-4-amine?
4-(2-ethylbutyl)oxepan-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)oxepan-4-amine is sourced from PubChem (CID 82920878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).