[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol

C14H28N2O2 — CID 79635369

IUPAC[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N2CCCOC(C)C2)C1
InChIInChI=1S/C14H28N2O2/c1-12-10-16(7-4-8-18-12)13-5-3-6-14(9-13,11-17)15-2/h12-13,15,17H,3-11H2,1-2H3
InChIKeySKSQPJYQGQOZEH-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds3

About [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol

[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol (PubChem CID 79635369) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol
PubChem CID79635369
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N2CCCOC(C)C2)C1
InChIInChI=1S/C14H28N2O2/c1-12-10-16(7-4-8-18-12)13-5-3-6-14(9-13,11-17)15-2/h12-13,15,17H,3-11H2,1-2H3
InChIKeySKSQPJYQGQOZEH-UHFFFAOYSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635044
[3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclohexyl]methanol
CID 79633930
[3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640301
[3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79646760
[1-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79633660
[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
[3-(2,6-dimethylmorpholin-4-yl)-1-(propylamino)cyclohexyl]methanol
CID 79634551
1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
CID 79650770
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640172
[1-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclopentyl]methanol
CID 79644724
[1-(methylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571001
[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol (CID 79635369) is [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol is CNC1(CO)CCCC(N2CCCOC(C)C2)C1.
What is the InChIKey of [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol?
The InChIKey is SKSQPJYQGQOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12-10-16(7-4-8-18-12)13-5-3-6-14(9-13,11-17)15-2/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol?
[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol is sourced from PubChem (CID 79635369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).