3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine

C15H24N4 — CID 170724367

IUPAC3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine
SMILESC=C/C(=C\C=C/C)c1cn(CCCNC(C)C)nn1
InChIInChI=1S/C15H24N4/c1-5-7-9-14(6-2)15-12-19(18-17-15)11-8-10-16-13(3)4/h5-7,9,12-13,16H,2,8,10-11H2,1,3-4H3/b7-5-,14-9+
InChIKeyUQMONGZJRVGUQK-VKVSZKFMSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds8

About 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine

3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 170724367) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine
PubChem CID170724367
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine
SMILESC=C/C(=C\C=C/C)c1cn(CCCNC(C)C)nn1
InChIInChI=1S/C15H24N4/c1-5-7-9-14(6-2)15-12-19(18-17-15)11-8-10-16-13(3)4/h5-7,9,12-13,16H,2,8,10-11H2,1,3-4H3/b7-5-,14-9+
InChIKeyUQMONGZJRVGUQK-VKVSZKFMSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine (CID 170724367) is 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine is C=C/C(=C\C=C/C)c1cn(CCCNC(C)C)nn1.
What is the InChIKey of 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is UQMONGZJRVGUQK-VKVSZKFMSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-7-9-14(6-2)15-12-19(18-17-15)11-8-10-16-13(3)4/h5-7,9,12-13,16H,2,8,10-11H2,1,3-4H3/b7-5-,14-9+.
What are the key properties of 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine?
3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 170724367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).