2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine

C11H22N4 — CID 43783872

IUPAC2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
SMILESCCC(NC(C)c1nncn1C)C(C)C
InChIInChI=1S/C11H22N4/c1-6-10(8(2)3)13-9(4)11-14-12-7-15(11)5/h7-10,13H,6H2,1-5H3
InChIKeyADSGXGUEAWVUPX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine

2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine (PubChem CID 43783872) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
PubChem CID43783872
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
SMILESCCC(NC(C)c1nncn1C)C(C)C
InChIInChI=1S/C11H22N4/c1-6-10(8(2)3)13-9(4)11-14-12-7-15(11)5/h7-10,13H,6H2,1-5H3
InChIKeyADSGXGUEAWVUPX-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-tert-butyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 107445034
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
CID 62119018
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-phenylbutan-1-amine
CID 43702946
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43703199
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanenitrile
CID 62117721
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
CID 103248684
1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703252
1-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63379059
1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine (CID 43783872) is 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine is CCC(NC(C)c1nncn1C)C(C)C.
What is the InChIKey of 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
The InChIKey is ADSGXGUEAWVUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-6-10(8(2)3)13-9(4)11-14-12-7-15(11)5/h7-10,13H,6H2,1-5H3.
What are the key properties of 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine?
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 43783872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).