2-(1,4-oxazepan-4-yl)cyclohexan-1-amine

C11H22N2O — CID 62987288

IUPAC2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
SMILESNC1CCCCC1N1CCCOCC1
InChIInChI=1S/C11H22N2O/c12-10-4-1-2-5-11(10)13-6-3-8-14-9-7-13/h10-11H,1-9,12H2
InChIKeyAKDFCQKWYMDBHV-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds1

About 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine

2-(1,4-oxazepan-4-yl)cyclohexan-1-amine (PubChem CID 62987288) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
PubChem CID62987288
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
SMILESNC1CCCCC1N1CCCOCC1
InChIInChI=1S/C11H22N2O/c12-10-4-1-2-5-11(10)13-6-3-8-14-9-7-13/h10-11H,1-9,12H2
InChIKeyAKDFCQKWYMDBHV-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine?
The IUPAC name of 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine (CID 62987288) is 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine is NC1CCCCC1N1CCCOCC1.
What is the InChIKey of 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine?
The InChIKey is AKDFCQKWYMDBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c12-10-4-1-2-5-11(10)13-6-3-8-14-9-7-13/h10-11H,1-9,12H2.
What are the key properties of 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine?
2-(1,4-oxazepan-4-yl)cyclohexan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxazepan-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 62987288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).