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

C16H30N4O — CID 105000109

IUPACN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCCO1)Cc1ncnn1CC(C)C
InChIInChI=1S/C16H30N4O/c1-13(2)11-20-16(18-12-19-20)10-14(17-3)7-8-15-6-4-5-9-21-15/h12-15,17H,4-11H2,1-3H3
InChIKeyJZVGIBKFXRLTHG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.41
Rot. Bonds8

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

N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine (PubChem CID 105000109) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
PubChem CID105000109
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCCO1)Cc1ncnn1CC(C)C
InChIInChI=1S/C16H30N4O/c1-13(2)11-20-16(18-12-19-20)10-14(17-3)7-8-15-6-4-5-9-21-15/h12-15,17H,4-11H2,1-3H3
InChIKeyJZVGIBKFXRLTHG-UHFFFAOYSA-N
XLogP2.41
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.41
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-(oxolan-2-yl)butan-2-amine
CID 104999928
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999994
1-cyclohexyl-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999870
N-ethyl-4-(oxan-2-yl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 104999479
N-ethyl-4-(oxolan-2-yl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105002996
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103987063
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229065
[1-(oxan-2-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105267514
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine (CID 105000109) is N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine is CNC(CCC1CCCCO1)Cc1ncnn1CC(C)C.
What is the InChIKey of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine?
The InChIKey is JZVGIBKFXRLTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13(2)11-20-16(18-12-19-20)10-14(17-3)7-8-15-6-4-5-9-21-15/h12-15,17H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine?
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 2.41, 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-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 105000109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).