2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine

C15H28N4 — CID 102641469

IUPAC2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNCC(C)C)Cc1ncnn1CCC
InChIInChI=1S/C15H28N4/c1-6-8-19-14(17-12-18-19)9-15(5,7-2)11-16-10-13(3)4/h7,12-13,16H,2,6,8-11H2,1,3-5H3
InChIKeyMGBLMSQVEOBFMS-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.67
Rot. Bonds9

About 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine

2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine (PubChem CID 102641469) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
PubChem CID102641469
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNCC(C)C)Cc1ncnn1CCC
InChIInChI=1S/C15H28N4/c1-6-8-19-14(17-12-18-19)9-15(5,7-2)11-16-10-13(3)4/h7,12-13,16H,2,6,8-11H2,1,3-5H3
InChIKeyMGBLMSQVEOBFMS-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine with MolForge

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Related Compounds

2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine
CID 102640345
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 83150659
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398
2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
CID 102641460
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 80557324
2-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]but-3-en-1-amine
CID 103014875
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
4-(2-ethyl-1,2,4-triazol-3-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine (CID 102641469) is 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine is C=CC(C)(CNCC(C)C)Cc1ncnn1CCC.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine?
The InChIKey is MGBLMSQVEOBFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-8-19-14(17-12-18-19)9-15(5,7-2)11-16-10-13(3)4/h7,12-13,16H,2,6,8-11H2,1,3-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine?
2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine is sourced from PubChem (CID 102641469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).