N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine

C11H22N4 — CID 104997587

IUPACN,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCC(C)(C)C(Cc1ncnn1C)NC
InChIInChI=1S/C11H22N4/c1-6-11(2,3)9(12-4)7-10-13-8-14-15(10)5/h8-9,12H,6-7H2,1-5H3
InChIKeyVBJCQCJFBDHOSH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.38
Rot. Bonds5

About N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine

N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine (PubChem CID 104997587) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
PubChem CID104997587
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCC(C)(C)C(Cc1ncnn1C)NC
InChIInChI=1S/C11H22N4/c1-6-11(2,3)9(12-4)7-10-13-8-14-15(10)5/h8-9,12H,6-7H2,1-5H3
InChIKeyVBJCQCJFBDHOSH-UHFFFAOYSA-N
XLogP1.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277
1-(4-tert-butylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997858
[3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105242143
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
CID 116660545
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79064254
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062167
N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine
CID 104845311

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine (CID 104997587) is N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine is CCC(C)(C)C(Cc1ncnn1C)NC.
What is the InChIKey of N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The InChIKey is VBJCQCJFBDHOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-6-11(2,3)9(12-4)7-10-13-8-14-15(10)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine is sourced from PubChem (CID 104997587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).