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

C11H22N4 — CID 115876465

IUPAC2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1nncn1C(C)C
InChIInChI=1S/C11H22N4/c1-9(2)7-12-6-5-11-14-13-8-15(11)10(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyBLXRVAFKHGQJSK-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.65
Rot. Bonds6

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

2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine (PubChem CID 115876465) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
PubChem CID115876465
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCc1nncn1C(C)C
InChIInChI=1S/C11H22N4/c1-9(2)7-12-6-5-11-14-13-8-15(11)10(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyBLXRVAFKHGQJSK-UHFFFAOYSA-N
XLogP1.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 72873294
2,3,5,6-tetrafluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 133372907
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 118774494
4-propan-2-yl-3-(2,3,3-trimethylbutyl)-1,2,4-triazole
CID 115393954
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide;hydrochloride
CID 154903527
3-[2-(2-methylphenyl)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 115393901
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
1-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
CID 121496252
4-propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213654
N-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 86974953

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine (CID 115876465) is 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine is CC(C)CNCCc1nncn1C(C)C.
What is the InChIKey of 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
The InChIKey is BLXRVAFKHGQJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)7-12-6-5-11-14-13-8-15(11)10(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115876465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).