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

C11H22N4 — CID 106228799

IUPAC1-(1-pentyltriazol-4-yl)butan-1-amine
SMILESCCCCCn1cc(C(N)CCC)nn1
InChIInChI=1S/C11H22N4/c1-3-5-6-8-15-9-11(13-14-15)10(12)7-4-2/h9-10H,3-8,12H2,1-2H3
InChIKeyKRQBNHGMEBSKEU-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.27
Rot. Bonds7

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

1-(1-pentyltriazol-4-yl)butan-1-amine (PubChem CID 106228799) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-pentyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name1-(1-pentyltriazol-4-yl)butan-1-amine
PubChem CID106228799
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-(1-pentyltriazol-4-yl)butan-1-amine
SMILESCCCCCn1cc(C(N)CCC)nn1
InChIInChI=1S/C11H22N4/c1-3-5-6-8-15-9-11(13-14-15)10(12)7-4-2/h9-10H,3-8,12H2,1-2H3
InChIKeyKRQBNHGMEBSKEU-UHFFFAOYSA-N
XLogP2.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-pentyltriazol-4-yl)butan-1-amine?
The IUPAC name of 1-(1-pentyltriazol-4-yl)butan-1-amine (CID 106228799) is 1-(1-pentyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 1-(1-pentyltriazol-4-yl)butan-1-amine?
The canonical SMILES for 1-(1-pentyltriazol-4-yl)butan-1-amine is CCCCCn1cc(C(N)CCC)nn1.
What is the InChIKey of 1-(1-pentyltriazol-4-yl)butan-1-amine?
The InChIKey is KRQBNHGMEBSKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-6-8-15-9-11(13-14-15)10(12)7-4-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 1-(1-pentyltriazol-4-yl)butan-1-amine?
1-(1-pentyltriazol-4-yl)butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 106228799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).