[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

C15H29N3O — CID 105365112

IUPAC[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESCC1CN(C2(CN)CCN3CCC2C3)CC(C)(C)O1
InChIInChI=1S/C15H29N3O/c1-12-8-18(11-14(2,3)19-12)15(10-16)5-7-17-6-4-13(15)9-17/h12-13H,4-11,16H2,1-3H3
InChIKeyZAPLBHPEJBKBTG-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.91
Rot. Bonds2

About [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (PubChem CID 105365112) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
PubChem CID105365112
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESCC1CN(C2(CN)CCN3CCC2C3)CC(C)(C)O1
InChIInChI=1S/C15H29N3O/c1-12-8-18(11-14(2,3)19-12)15(10-16)5-7-17-6-4-13(15)9-17/h12-13H,4-11,16H2,1-3H3
InChIKeyZAPLBHPEJBKBTG-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The IUPAC name of [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (CID 105365112) is [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.
What is the SMILES notation for [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The canonical SMILES for [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is CC1CN(C2(CN)CCN3CCC2C3)CC(C)(C)O1.
What is the InChIKey of [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The InChIKey is ZAPLBHPEJBKBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-8-18(11-14(2,3)19-12)15(10-16)5-7-17-6-4-13(15)9-17/h12-13H,4-11,16H2,1-3H3.
What are the key properties of [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
[4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine has a molecular weight of 267.42 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,6-trimethylmorpholin-4-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is sourced from PubChem (CID 105365112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).