5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine

C11H22N4 — CID 106281815

IUPAC5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1ncn[nH]1
InChIInChI=1S/C11H22N4/c1-8(2)5-6-9(3)14-10(4)11-12-7-13-15-11/h7-10,14H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyIQOOCIPXKAOOFS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.28
Rot. Bonds6

About 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine

5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine (PubChem CID 106281815) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
PubChem CID106281815
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NC(C)c1ncn[nH]1
InChIInChI=1S/C11H22N4/c1-8(2)5-6-9(3)14-10(4)11-12-7-13-15-11/h7-10,14H,5-6H2,1-4H3,(H,12,13,15)
InChIKeyIQOOCIPXKAOOFS-UHFFFAOYSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 106282082
N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 65362730
2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol
CID 106281667
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115970276
1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 106282005
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281938
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167967
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281911

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine (CID 106281815) is 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine is CC(C)CCC(C)NC(C)c1ncn[nH]1.
What is the InChIKey of 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine?
The InChIKey is IQOOCIPXKAOOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(2)5-6-9(3)14-10(4)11-12-7-13-15-11/h7-10,14H,5-6H2,1-4H3,(H,12,13,15).
What are the key properties of 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine?
5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 106281815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).