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

C14H26N4O — CID 103987063

IUPACN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1ncnn1CC(C)C)CC1CCOC1
InChIInChI=1S/C14H26N4O/c1-11(2)8-18-14(16-10-17-18)7-13(15-3)6-12-4-5-19-9-12/h10-13,15H,4-9H2,1-3H3
InChIKeyQAGRCUGZBXNXIO-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.49
Rot. Bonds7

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

N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine (PubChem CID 103987063) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
PubChem CID103987063
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1ncnn1CC(C)C)CC1CCOC1
InChIInChI=1S/C14H26N4O/c1-11(2)8-18-14(16-10-17-18)7-13(15-3)6-12-4-5-19-9-12/h10-13,15H,4-9H2,1-3H3
InChIKeyQAGRCUGZBXNXIO-UHFFFAOYSA-N
XLogP1.49
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103986800
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-ol
CID 113362031
1-cyclohexyl-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999870
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999908
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxan-2-yl)butan-2-amine
CID 105000109
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-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine
CID 113362140
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126
1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
1-(oxolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103986790
1-(2,2-dimethylcyclopentyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 107189619

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine (CID 103987063) is N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine is CNC(Cc1ncnn1CC(C)C)CC1CCOC1.
What is the InChIKey of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is QAGRCUGZBXNXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)8-18-14(16-10-17-18)7-13(15-3)6-12-4-5-19-9-12/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine?
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 1.49, 7 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]-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 103987063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).