N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine

C15H28N4O — CID 104999928

IUPACN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1ncnn1CC(C)C
InChIInChI=1S/C15H28N4O/c1-12(2)10-19-15(17-11-18-19)9-13(16-3)6-7-14-5-4-8-20-14/h11-14,16H,4-10H2,1-3H3
InChIKeyBSNIXVOHPXOPCC-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.02
Rot. Bonds8

About N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine

N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine (PubChem CID 104999928) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
PubChem CID104999928
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1ncnn1CC(C)C
InChIInChI=1S/C15H28N4O/c1-12(2)10-19-15(17-11-18-19)9-13(16-3)6-7-14-5-4-8-20-14/h11-14,16H,4-10H2,1-3H3
InChIKeyBSNIXVOHPXOPCC-UHFFFAOYSA-N
XLogP2.02
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
CID 105000109
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999994
N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105002996
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229065
N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 104999479
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105014941
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897
N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105025317
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105002584
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 104994465
[1-(oxan-2-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105267514

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine (CID 104999928) is N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine is CNC(CCC1CCCO1)Cc1ncnn1CC(C)C.
What is the InChIKey of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is BSNIXVOHPXOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)10-19-15(17-11-18-19)9-13(16-3)6-7-14-5-4-8-20-14/h11-14,16H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine?
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 104999928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).