N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine

C17H31N5O — CID 154769345

IUPACN-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine
SMILESCC1CN(CCn2cc(CNC3CCCCC3)nn2)CC(C)O1
InChIInChI=1S/C17H31N5O/c1-14-11-21(12-15(2)23-14)8-9-22-13-17(19-20-22)10-18-16-6-4-3-5-7-16/h13-16,18H,3-12H2,1-2H3
InChIKeyIZNFWGXOIFHUAL-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.81
Rot. Bonds6

About N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine

N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine (PubChem CID 154769345) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine
PubChem CID154769345
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC NameN-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine
SMILESCC1CN(CCn2cc(CNC3CCCCC3)nn2)CC(C)O1
InChIInChI=1S/C17H31N5O/c1-14-11-21(12-15(2)23-14)8-9-22-13-17(19-20-22)10-18-16-6-4-3-5-7-16/h13-16,18H,3-12H2,1-2H3
InChIKeyIZNFWGXOIFHUAL-UHFFFAOYSA-N
XLogP1.81
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438334
N-[[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63621483
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62421520
N-[[1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 64581206
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]cycloheptanamine
CID 55024032
N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 106316630
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
N-[2-[4-[(cyclopropylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62418703
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588
N-[[1-(4,5-dihydro-1,2-oxazol-3-ylmethyl)triazol-4-yl]methyl]cyclohexanamine
CID 154787671

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine (CID 154769345) is N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine is CC1CN(CCn2cc(CNC3CCCCC3)nn2)CC(C)O1.
What is the InChIKey of N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine?
The InChIKey is IZNFWGXOIFHUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-14-11-21(12-15(2)23-14)8-9-22-13-17(19-20-22)10-18-16-6-4-3-5-7-16/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine?
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine has a molecular weight of 321.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 154769345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).