N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine

C14H28N2O — CID 62988145

IUPACN-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
SMILESCNC1CCCCCCC1N1CCCOCC1
InChIInChI=1S/C14H28N2O/c1-15-13-7-4-2-3-5-8-14(13)16-9-6-11-17-12-10-16/h13-15H,2-12H2,1H3
InChIKeyUUHHBORWNMFQEH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds2

About N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine

N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine (PubChem CID 62988145) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
PubChem CID62988145
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
SMILESCNC1CCCCCCC1N1CCCOCC1
InChIInChI=1S/C14H28N2O/c1-15-13-7-4-2-3-5-8-14(13)16-9-6-11-17-12-10-16/h13-15H,2-12H2,1H3
InChIKeyUUHHBORWNMFQEH-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine?
The IUPAC name of N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine (CID 62988145) is N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine.
What is the SMILES notation for N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine?
The canonical SMILES for N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine is CNC1CCCCCCC1N1CCCOCC1.
What is the InChIKey of N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine?
The InChIKey is UUHHBORWNMFQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-13-7-4-2-3-5-8-14(13)16-9-6-11-17-12-10-16/h13-15H,2-12H2,1H3.
What are the key properties of N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine?
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine is sourced from PubChem (CID 62988145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).