6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine

C13H26N4O — CID 177359452

IUPAC6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine
SMILESCOCCCCCCNCCCCn1ccnn1
InChIInChI=1S/C13H26N4O/c1-18-13-7-3-2-4-8-14-9-5-6-11-17-12-10-15-16-17/h10,12,14H,2-9,11,13H2,1H3
InChIKeyJVZJUQYRRYHVTG-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.85
Rot. Bonds12

About 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine

6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine (PubChem CID 177359452) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine
PubChem CID177359452
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine
SMILESCOCCCCCCNCCCCn1ccnn1
InChIInChI=1S/C13H26N4O/c1-18-13-7-3-2-4-8-14-9-5-6-11-17-12-10-15-16-17/h10,12,14H,2-9,11,13H2,1H3
InChIKeyJVZJUQYRRYHVTG-UHFFFAOYSA-N
XLogP1.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.85
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

1-(5-Methoxypentyl)triazole
CID 60111372
N-[2-(triazol-1-yl)ethyl]decan-1-amine
CID 104444705
(2R,3R)-3-methoxy-1-(triazol-1-yl)pentan-2-amine
CID 135132890
1-(6-Pent-3-ynoxyhexyl)triazole
CID 169963950
1-(7-Pent-3-ynoxyheptyl)triazole
CID 169963952
1-(6-Hex-4-ynoxyhexyl)triazole
CID 169963953
6-Pent-3-ynoxy-1-(triazol-1-yl)hexan-2-amine
CID 169963971
5-Hex-4-ynoxy-1-(triazol-1-yl)pentan-2-amine
CID 169963972
1-Pent-3-ynoxy-6-(triazol-1-yl)hexan-3-amine
CID 169963975
1-Hex-4-ynoxy-5-(triazol-1-yl)pentan-2-amine
CID 169963976
1-[5-(Triazol-1-yl)pentoxy]hex-4-yn-2-amine
CID 169963978
4-pent-3-ynoxy-N-[2-(triazol-1-yl)ethyl]butan-1-amine
CID 169964103

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine?
The IUPAC name of 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine (CID 177359452) is 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine.
What is the SMILES notation for 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine?
The canonical SMILES for 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine is COCCCCCCNCCCCn1ccnn1.
What is the InChIKey of 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine?
The InChIKey is JVZJUQYRRYHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-18-13-7-3-2-4-8-14-9-5-6-11-17-12-10-15-16-17/h10,12,14H,2-9,11,13H2,1H3.
What are the key properties of 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine?
6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 1.85, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine is sourced from PubChem (CID 177359452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).