1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine

C21H42N2O2 — CID 59563447

IUPAC1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine
SMILESCC1CN(CC(COC2CCCCC2)N(C(C)C)C(C)C)CC(C)O1
InChIInChI=1S/C21H42N2O2/c1-16(2)23(17(3)4)20(15-24-21-10-8-7-9-11-21)14-22-12-18(5)25-19(6)13-22/h16-21H,7-15H2,1-6H3
InChIKeyNKSMHCDWQJHUFI-UHFFFAOYSA-N
MW354.58 g/mol
LogP3.93
Rot. Bonds8

About 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine

1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine (PubChem CID 59563447) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine
PubChem CID59563447
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine
SMILESCC1CN(CC(COC2CCCCC2)N(C(C)C)C(C)C)CC(C)O1
InChIInChI=1S/C21H42N2O2/c1-16(2)23(17(3)4)20(15-24-21-10-8-7-9-11-21)14-22-12-18(5)25-19(6)13-22/h16-21H,7-15H2,1-6H3
InChIKeyNKSMHCDWQJHUFI-UHFFFAOYSA-N
XLogP3.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine?
The IUPAC name of 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine (CID 59563447) is 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine?
The canonical SMILES for 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine is CC1CN(CC(COC2CCCCC2)N(C(C)C)C(C)C)CC(C)O1.
What is the InChIKey of 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine?
The InChIKey is NKSMHCDWQJHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-16(2)23(17(3)4)20(15-24-21-10-8-7-9-11-21)14-22-12-18(5)25-19(6)13-22/h16-21H,7-15H2,1-6H3.
What are the key properties of 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine?
1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine has a molecular weight of 354.58 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)-N,N-di(propan-2-yl)propan-2-amine is sourced from PubChem (CID 59563447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).