N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine

C13H26N4O — CID 66192486

IUPACN-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCCCCCCn1cc(CNCCOC)nn1
InChIInChI=1S/C13H26N4O/c1-3-4-5-6-7-9-17-12-13(15-16-17)11-14-8-10-18-2/h12,14H,3-11H2,1-2H3
InChIKeyJQCKJDLQJPEADB-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.98
Rot. Bonds11

About N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine

N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 66192486) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID66192486
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
SMILESCCCCCCCn1cc(CNCCOC)nn1
InChIInChI=1S/C13H26N4O/c1-3-4-5-6-7-9-17-12-13(15-16-17)11-14-8-10-18-2/h12,14H,3-11H2,1-2H3
InChIKeyJQCKJDLQJPEADB-UHFFFAOYSA-N
XLogP1.98
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.98
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-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]ethanamine
CID 66204200
2-methoxy-N-[[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]methyl]ethanamine
CID 66205422
2-methoxy-N-[[1-[(1-propyltetrazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66204818
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
CID 66205413
4-heptyl-1-octyltriazole
CID 146568784
1,4-dioctyltriazole
CID 22628762
N-[[1-(3-phenoxypropyl)triazol-4-yl]methyl]propan-1-amine
CID 66192386
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005

Frequently Asked Questions

What is the IUPAC name of N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine (CID 66192486) is N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine is CCCCCCCn1cc(CNCCOC)nn1.
What is the InChIKey of N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is JQCKJDLQJPEADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-4-5-6-7-9-17-12-13(15-16-17)11-14-8-10-18-2/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine?
N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 254.38 g/mol, XLogP of 1.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 66192486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).