N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine

C9H18N4O — CID 153319100

IUPACN-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCn1ccnn1
InChIInChI=1S/C9H18N4O/c1-9(2)10-4-7-14-8-6-13-5-3-11-12-13/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeyQGQOOJLSKHZFPC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.29
Rot. Bonds7

About N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine

N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine (PubChem CID 153319100) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine
PubChem CID153319100
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCn1ccnn1
InChIInChI=1S/C9H18N4O/c1-9(2)10-4-7-14-8-6-13-5-3-11-12-13/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeyQGQOOJLSKHZFPC-UHFFFAOYSA-N
XLogP0.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.29
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

rac-(3R,4S)-4-(1H-1,2,3-triazol-1-yl)oxolan-3-amine dihydrochloride
CID 165982510
2-(triazol-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104444723
2-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 104444740
3-(triazol-1-yl)-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 104445099
3-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 104445113
Rac-(3R,4S)-4-(1H-1,2,3-triazol-1-yl)oxolan-3-amine
CID 124709636
1-(2-Ethoxyethyl)triazole
CID 12538950
2-[(1H-1,2,3-Triazol-1-yl)methyl]morpholine
CID 18329925
2-(Triazol-1-yl)morpholine
CID 69572380
1-(1,3-Dimethoxypropan-2-yl)triazole
CID 70615679
2-[2-(1H-1,2,3-Triazol-1-yl)ethoxy]ethan-1-amine
CID 86262487
(2R,3R)-3-methoxy-1-(triazol-1-yl)pentan-2-amine
CID 135132890

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine (CID 153319100) is N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCn1ccnn1.
What is the InChIKey of N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine?
The InChIKey is QGQOOJLSKHZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-9(2)10-4-7-14-8-6-13-5-3-11-12-13/h3,5,9-10H,4,6-8H2,1-2H3.
What are the key properties of N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine has a molecular weight of 198.27 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(triazol-1-yl)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 153319100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).