[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine

C18H36N2O — CID 43099350

IUPAC[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
SMILESCC1CN(C2(CN)CCCCCCCCCCC2)CCO1
InChIInChI=1S/C18H36N2O/c1-17-15-20(13-14-21-17)18(16-19)11-9-7-5-3-2-4-6-8-10-12-18/h17H,2-16,19H2,1H3
InChIKeyINDJDNYBYCSUHW-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.71
Rot. Bonds2

About [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine

[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine (PubChem CID 43099350) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine.

Molecular Properties

Compound Name[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
PubChem CID43099350
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
SMILESCC1CN(C2(CN)CCCCCCCCCCC2)CCO1
InChIInChI=1S/C18H36N2O/c1-17-15-20(13-14-21-17)18(16-19)11-9-7-5-3-2-4-6-8-10-12-18/h17H,2-16,19H2,1H3
InChIKeyINDJDNYBYCSUHW-UHFFFAOYSA-N
XLogP3.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine?
The IUPAC name of [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine (CID 43099350) is [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine.
What is the SMILES notation for [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine?
The canonical SMILES for [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine is CC1CN(C2(CN)CCCCCCCCCCC2)CCO1.
What is the InChIKey of [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine?
The InChIKey is INDJDNYBYCSUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17-15-20(13-14-21-17)18(16-19)11-9-7-5-3-2-4-6-8-10-12-18/h17H,2-16,19H2,1H3.
What are the key properties of [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine?
[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine has a molecular weight of 296.50 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine is sourced from PubChem (CID 43099350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).