4-(1-heptyltriazol-4-yl)butan-1-amine

C13H26N4 — CID 104539279

IUPAC4-(1-heptyltriazol-4-yl)butan-1-amine
SMILESCCCCCCCn1cc(CCCCN)nn1
InChIInChI=1S/C13H26N4/c1-2-3-4-5-8-11-17-12-13(15-16-17)9-6-7-10-14/h12H,2-11,14H2,1H3
InChIKeyPRZZTTONORVWQR-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.53
Rot. Bonds10

About 4-(1-heptyltriazol-4-yl)butan-1-amine

4-(1-heptyltriazol-4-yl)butan-1-amine (PubChem CID 104539279) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-(1-heptyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1-heptyltriazol-4-yl)butan-1-amine
PubChem CID104539279
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name4-(1-heptyltriazol-4-yl)butan-1-amine
SMILESCCCCCCCn1cc(CCCCN)nn1
InChIInChI=1S/C13H26N4/c1-2-3-4-5-8-11-17-12-13(15-16-17)9-6-7-10-14/h12H,2-11,14H2,1H3
InChIKeyPRZZTTONORVWQR-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
2-(4-heptyltriazol-1-yl)ethanethiol
CID 130281012
1-hex-5-enyl-4-undecyltriazole
CID 170718913
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794

Frequently Asked Questions

What is the IUPAC name of 4-(1-heptyltriazol-4-yl)butan-1-amine?
The IUPAC name of 4-(1-heptyltriazol-4-yl)butan-1-amine (CID 104539279) is 4-(1-heptyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 4-(1-heptyltriazol-4-yl)butan-1-amine?
The canonical SMILES for 4-(1-heptyltriazol-4-yl)butan-1-amine is CCCCCCCn1cc(CCCCN)nn1.
What is the InChIKey of 4-(1-heptyltriazol-4-yl)butan-1-amine?
The InChIKey is PRZZTTONORVWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-2-3-4-5-8-11-17-12-13(15-16-17)9-6-7-10-14/h12H,2-11,14H2,1H3.
What are the key properties of 4-(1-heptyltriazol-4-yl)butan-1-amine?
4-(1-heptyltriazol-4-yl)butan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-heptyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 104539279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).