2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine

C14H24N4O — CID 107053522

IUPAC2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cn(C)nn2)CC2CC2C1
InChIInChI=1S/C14H24N4O/c1-18-9-13(16-17-18)8-14(10-15-3-4-19-2)6-11-5-12(11)7-14/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyMQFOEFIJIALFRB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.01
Rot. Bonds7

About 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine

2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine (PubChem CID 107053522) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
PubChem CID107053522
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cn(C)nn2)CC2CC2C1
InChIInChI=1S/C14H24N4O/c1-18-9-13(16-17-18)8-14(10-15-3-4-19-2)6-11-5-12(11)7-14/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyMQFOEFIJIALFRB-UHFFFAOYSA-N
XLogP1.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine (CID 107053522) is 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine is COCCNCC1(Cc2cn(C)nn2)CC2CC2C1.
What is the InChIKey of 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
The InChIKey is MQFOEFIJIALFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18-9-13(16-17-18)8-14(10-15-3-4-19-2)6-11-5-12(11)7-14/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine?
2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-[(1-methyltriazol-4-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine is sourced from PubChem (CID 107053522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).