N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine

C14H26N4O2 — CID 115942925

IUPACN-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)(C)OCCOCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H26N4O2/c1-14(2,3)20-9-8-19-7-6-18-11-13(16-17-18)10-15-12-4-5-12/h11-12,15H,4-10H2,1-3H3
InChIKeyHQOFGOCJYWHEKI-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.36
Rot. Bonds9

About N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine (PubChem CID 115942925) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
PubChem CID115942925
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)(C)OCCOCCn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H26N4O2/c1-14(2,3)20-9-8-19-7-6-18-11-13(16-17-18)10-15-12-4-5-12/h11-12,15H,4-10H2,1-3H3
InChIKeyHQOFGOCJYWHEKI-UHFFFAOYSA-N
XLogP1.36
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62455737
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 174340368
N-[[1-[2-[(4-bromophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 82807547
N-[[1-(2-phenylmethoxyethyl)triazol-4-yl]methyl]cyclopropanamine
CID 62444055
4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole
CID 164700684
1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 106205756
N-[[1-[2-[(3-chlorophenyl)methoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 65125840
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[[1-[2-(1-phenylethoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62444388
N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63556927
2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62457361
N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908631

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine (CID 115942925) is N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine is CC(C)(C)OCCOCCn1cc(CNC2CC2)nn1.
What is the InChIKey of N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is HQOFGOCJYWHEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(2,3)20-9-8-19-7-6-18-11-13(16-17-18)10-15-12-4-5-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 282.39 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115942925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).