4-(3-methylbutyl)oxepan-4-amine

C11H23NO — CID 65077222

IUPAC4-(3-methylbutyl)oxepan-4-amine
SMILESCC(C)CCC1(N)CCCOCC1
InChIInChI=1S/C11H23NO/c1-10(2)4-6-11(12)5-3-8-13-9-7-11/h10H,3-9,12H2,1-2H3
InChIKeyFNIVACFVUFRENX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds3

About 4-(3-methylbutyl)oxepan-4-amine

4-(3-methylbutyl)oxepan-4-amine (PubChem CID 65077222) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(3-methylbutyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(3-methylbutyl)oxepan-4-amine
PubChem CID65077222
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(3-methylbutyl)oxepan-4-amine
SMILESCC(C)CCC1(N)CCCOCC1
InChIInChI=1S/C11H23NO/c1-10(2)4-6-11(12)5-3-8-13-9-7-11/h10H,3-9,12H2,1-2H3
InChIKeyFNIVACFVUFRENX-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)oxepan-4-amine?
The IUPAC name of 4-(3-methylbutyl)oxepan-4-amine (CID 65077222) is 4-(3-methylbutyl)oxepan-4-amine.
What is the SMILES notation for 4-(3-methylbutyl)oxepan-4-amine?
The canonical SMILES for 4-(3-methylbutyl)oxepan-4-amine is CC(C)CCC1(N)CCCOCC1.
What is the InChIKey of 4-(3-methylbutyl)oxepan-4-amine?
The InChIKey is FNIVACFVUFRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)4-6-11(12)5-3-8-13-9-7-11/h10H,3-9,12H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)oxepan-4-amine?
4-(3-methylbutyl)oxepan-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)oxepan-4-amine is sourced from PubChem (CID 65077222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).