N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

C16H30N4O — CID 62485269

IUPACN-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(CCOCC2CCCCC2)nn1
InChIInChI=1S/C16H30N4O/c1-16(2,3)17-11-15-12-20(19-18-15)9-10-21-13-14-7-5-4-6-8-14/h12,14,17H,4-11,13H2,1-3H3
InChIKeyQWTQMMOQLKZPON-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.76
Rot. Bonds7

About N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62485269) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62485269
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(CCOCC2CCCCC2)nn1
InChIInChI=1S/C16H30N4O/c1-16(2,3)17-11-15-12-20(19-18-15)9-10-21-13-14-7-5-4-6-8-14/h12,14,17H,4-11,13H2,1-3H3
InChIKeyQWTQMMOQLKZPON-UHFFFAOYSA-N
XLogP2.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
N-[[1-[2-(2,2-difluoroethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82005716
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
CID 118041103
1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 106205756
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588
2-methyl-N-[[1-[2-(thiophen-2-ylmethoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62485434
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62440226
N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine
CID 65468849

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 62485269) is N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn(CCOCC2CCCCC2)nn1.
What is the InChIKey of N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QWTQMMOQLKZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-16(2,3)17-11-15-12-20(19-18-15)9-10-21-13-14-7-5-4-6-8-14/h12,14,17H,4-11,13H2,1-3H3.
What are the key properties of N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62485269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).