1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine

C14H28N2O — CID 64680158

IUPAC1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CN(CCC2(N)CCCCC2)CCCO1
InChIInChI=1S/C14H28N2O/c1-13-12-16(9-5-11-17-13)10-8-14(15)6-3-2-4-7-14/h13H,2-12,15H2,1H3
InChIKeyWNCLUXRTWZTNCY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.15
Rot. Bonds3

About 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine

1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 64680158) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine
PubChem CID64680158
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CN(CCC2(N)CCCCC2)CCCO1
InChIInChI=1S/C14H28N2O/c1-13-12-16(9-5-11-17-13)10-8-14(15)6-3-2-4-7-14/h13H,2-12,15H2,1H3
InChIKeyWNCLUXRTWZTNCY-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclobutyl]methanamine
CID 81170479
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
1-[2-(azocan-1-yl)ethyl]cyclohexan-1-amine
CID 64678910
1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 114547038
[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571069
2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64679754
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propanenitrile
CID 94906828
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916
N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine
CID 62973523
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
(2R)-2-methyl-4-[4-[(2R)-2-methyl-1,4-oxazepan-4-yl]but-2-ynyl]-1,4-oxazepane
CID 124852526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine (CID 64680158) is 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine is CC1CN(CCC2(N)CCCCC2)CCCO1.
What is the InChIKey of 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is WNCLUXRTWZTNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13-12-16(9-5-11-17-13)10-8-14(15)6-3-2-4-7-14/h13H,2-12,15H2,1H3.
What are the key properties of 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine?
1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64680158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).