N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine

C11H22N4 — CID 107044590

IUPACN-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
SMILESCCCC(CCc1cn(C)nn1)NCC
InChIInChI=1S/C11H22N4/c1-4-6-10(12-5-2)7-8-11-9-15(3)14-13-11/h9-10,12H,4-8H2,1-3H3
InChIKeyMFKYYZYKMQBIQO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.53
Rot. Bonds7

About N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine

N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine (PubChem CID 107044590) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
PubChem CID107044590
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
SMILESCCCC(CCc1cn(C)nn1)NCC
InChIInChI=1S/C11H22N4/c1-4-6-10(12-5-2)7-8-11-9-15(3)14-13-11/h9-10,12H,4-8H2,1-3H3
InChIKeyMFKYYZYKMQBIQO-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-4-propyltriazole
CID 168923376
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107049210
ethane;4-ethyl-1-methyltriazole
CID 143593274
2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054917
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063909
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine
CID 107066634

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine?
The IUPAC name of N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine (CID 107044590) is N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine is CCCC(CCc1cn(C)nn1)NCC.
What is the InChIKey of N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine?
The InChIKey is MFKYYZYKMQBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-6-10(12-5-2)7-8-11-9-15(3)14-13-11/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine?
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine is sourced from PubChem (CID 107044590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).