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

C15H30N4 — CID 83151190

IUPAC2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCC(C)NCC(C)(Cc1ncnn1C(C)C)C(C)C
InChIInChI=1S/C15H30N4/c1-11(2)15(7,9-16-12(3)4)8-14-17-10-18-19(14)13(5)6/h10-13,16H,8-9H2,1-7H3
InChIKeyAGRIQWNEZVZMEH-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.06
Rot. Bonds7

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

2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine (PubChem CID 83151190) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
PubChem CID83151190
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCC(C)NCC(C)(Cc1ncnn1C(C)C)C(C)C
InChIInChI=1S/C15H30N4/c1-11(2)15(7,9-16-12(3)4)8-14-17-10-18-19(14)13(5)6/h10-13,16H,8-9H2,1-7H3
InChIKeyAGRIQWNEZVZMEH-UHFFFAOYSA-N
XLogP3.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(ethylamino)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 66040082
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83160201
2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol
CID 66039620
2,3-dimethyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 83149402
N-ethyl-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79051289
2-cyclopropyl-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 83150451
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
5-[2,2-bis(chloromethyl)pentyl]-1-propan-2-yl-1,2,4-triazole
CID 79448052
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
1,1,1-trifluoro-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999794
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-propan-2-yl-1,2,4-triazole
CID 83142306

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine (CID 83151190) is 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine is CC(C)NCC(C)(Cc1ncnn1C(C)C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The InChIKey is AGRIQWNEZVZMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-11(2)15(7,9-16-12(3)4)8-14-17-10-18-19(14)13(5)6/h10-13,16H,8-9H2,1-7H3.
What are the key properties of 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-propan-2-yl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 83151190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).