2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine

C12H24N4 — CID 114690351

IUPAC2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
SMILESCCCn1nncc1CCCNCC(C)C
InChIInChI=1S/C12H24N4/c1-4-8-16-12(10-14-15-16)6-5-7-13-9-11(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyJZHUBSRKWOYIJN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.87
Rot. Bonds8

About 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine

2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine (PubChem CID 114690351) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
PubChem CID114690351
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
SMILESCCCn1nncc1CCCNCC(C)C
InChIInChI=1S/C12H24N4/c1-4-8-16-12(10-14-15-16)6-5-7-13-9-11(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyJZHUBSRKWOYIJN-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.87
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 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine (CID 114690351) is 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine is CCCn1nncc1CCCNCC(C)C.
What is the InChIKey of 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine?
The InChIKey is JZHUBSRKWOYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-8-16-12(10-14-15-16)6-5-7-13-9-11(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine?
2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 114690351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).