2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one

C14H26N4O — CID 59533855

IUPAC2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one
SMILESCn1cc(CC(NC(C)(C)C)C(=O)C(C)(C)C)nn1
InChIInChI=1S/C14H26N4O/c1-13(2,3)12(19)11(15-14(4,5)6)8-10-9-18(7)17-16-10/h9,11,15H,8H2,1-7H3
InChIKeyPVVFFZPAJAZKEZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.73
Rot. Bonds4

About 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one

2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one (PubChem CID 59533855) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one
PubChem CID59533855
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one
SMILESCn1cc(CC(NC(C)(C)C)C(=O)C(C)(C)C)nn1
InChIInChI=1S/C14H26N4O/c1-13(2,3)12(19)11(15-14(4,5)6)8-10-9-18(7)17-16-10/h9,11,15H,8H2,1-7H3
InChIKeyPVVFFZPAJAZKEZ-UHFFFAOYSA-N
XLogP1.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107052932
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
chloro 2-amino-3-(1-methyltriazol-4-yl)propanoate
CID 169223972
tert-butyl N-[2-(hydroxymethyl)-3-(1-methyltriazol-4-yl)propyl]carbamate
CID 107053943
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
(2S)-2-(tert-butylamino)-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-one
CID 155649527
3-methoxy-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107048161
2-methyl-4-(1-methyltriazol-4-yl)butanoic acid
CID 107058965

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one?
The IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one (CID 59533855) is 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one is Cn1cc(CC(NC(C)(C)C)C(=O)C(C)(C)C)nn1.
What is the InChIKey of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one?
The InChIKey is PVVFFZPAJAZKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2,3)12(19)11(15-14(4,5)6)8-10-9-18(7)17-16-10/h9,11,15H,8H2,1-7H3.
What are the key properties of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one?
2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one has a molecular weight of 266.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4,4-dimethyl-1-(1-methyltriazol-4-yl)pentan-3-one is sourced from PubChem (CID 59533855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).