1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol

C11H22N4O — CID 107057682

IUPAC1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(C)(O)CNC(C)(C)C)nn1
InChIInChI=1S/C11H22N4O/c1-10(2,3)12-8-11(4,16)6-9-7-15(5)14-13-9/h7,12,16H,6,8H2,1-5H3
InChIKeyHGNNZYFNJRLMFW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds4

About 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol

1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol (PubChem CID 107057682) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
PubChem CID107057682
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
SMILESCn1cc(CC(C)(O)CNC(C)(C)C)nn1
InChIInChI=1S/C11H22N4O/c1-10(2,3)12-8-11(4,16)6-9-7-15(5)14-13-9/h7,12,16H,6,8H2,1-5H3
InChIKeyHGNNZYFNJRLMFW-UHFFFAOYSA-N
XLogP0.50
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
2-methyl-1-(2-methylpropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057685
4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107045742
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738
N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107052932
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
1-(tert-butylamino)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 66038221
2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one
CID 59533855

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol (CID 107057682) is 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol is Cn1cc(CC(C)(O)CNC(C)(C)C)nn1.
What is the InChIKey of 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol?
The InChIKey is HGNNZYFNJRLMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-10(2,3)12-8-11(4,16)6-9-7-15(5)14-13-9/h7,12,16H,6,8H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol?
1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol is sourced from PubChem (CID 107057682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).