N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine

C16H30N4O — CID 62444742

IUPACN-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCOC2CCCCC2CC)nn1
InChIInChI=1S/C16H30N4O/c1-3-9-17-12-15-13-20(19-18-15)10-11-21-16-8-6-5-7-14(16)4-2/h13-14,16-17H,3-12H2,1-2H3
InChIKeyJNZQHCQTFLMBCL-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.76
Rot. Bonds9

About N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine

N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 62444742) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID62444742
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCOC2CCCCC2CC)nn1
InChIInChI=1S/C16H30N4O/c1-3-9-17-12-15-13-20(19-18-15)10-11-21-16-8-6-5-7-14(16)4-2/h13-14,16-17H,3-12H2,1-2H3
InChIKeyJNZQHCQTFLMBCL-UHFFFAOYSA-N
XLogP2.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62440961
N-[[1-(3-phenoxypropyl)triazol-4-yl]methyl]propan-1-amine
CID 66192386
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130
N-[[6-(2-ethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 62292114
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine
CID 65468849
N-[[1-[2-(2,5-dichlorophenoxy)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62450398

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine (CID 62444742) is N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCOC2CCCCC2CC)nn1.
What is the InChIKey of N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is JNZQHCQTFLMBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-3-9-17-12-15-13-20(19-18-15)10-11-21-16-8-6-5-7-14(16)4-2/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-ethylcyclohexyl)oxyethyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62444742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).