1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine

C10H20N4O — CID 107063713

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)COC(C)(C)C)nn1
InChIInChI=1S/C10H20N4O/c1-10(2,3)15-7-8(11)5-9-6-14(4)13-12-9/h6,8H,5,7,11H2,1-4H3
InChIKeyTVVPEBQZIAIGQA-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.50
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine

1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine (PubChem CID 107063713) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine
PubChem CID107063713
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCn1cc(CC(N)COC(C)(C)C)nn1
InChIInChI=1S/C10H20N4O/c1-10(2,3)15-7-8(11)5-9-6-14(4)13-12-9/h6,8H,5,7,11H2,1-4H3
InChIKeyTVVPEBQZIAIGQA-UHFFFAOYSA-N
XLogP0.50
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
chloro 2-amino-3-(1-methyltriazol-4-yl)propanoate
CID 169223972
1-(1-methyltriazol-4-yl)tridecan-2-amine
CID 107063941
[1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 107066743
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048995
N-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582
3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107048161
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107051012
1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048388

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine (CID 107063713) is 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine is Cn1cc(CC(N)COC(C)(C)C)nn1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine?
The InChIKey is TVVPEBQZIAIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-10(2,3)15-7-8(11)5-9-6-14(4)13-12-9/h6,8H,5,7,11H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine?
1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine has a molecular weight of 212.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 107063713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).