N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine

C11H22N4 — CID 107049210

IUPACN-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
SMILESCCNC(Cc1cn(C)nn1)C(C)CC
InChIInChI=1S/C11H22N4/c1-5-9(3)11(12-6-2)7-10-8-15(4)14-13-10/h8-9,11-12H,5-7H2,1-4H3
InChIKeyUNJJIXOLSLLRCO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.38
Rot. Bonds6

About N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine

N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine (PubChem CID 107049210) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
PubChem CID107049210
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
SMILESCCNC(Cc1cn(C)nn1)C(C)CC
InChIInChI=1S/C11H22N4/c1-5-9(3)11(12-6-2)7-10-8-15(4)14-13-10/h8-9,11-12H,5-7H2,1-4H3
InChIKeyUNJJIXOLSLLRCO-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063909
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063898
4-(3-chloro-2-ethylbutyl)-1-methyltriazole
CID 107052371
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
CID 107044590
4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107061983
1-(4-bromophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107048451
2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine
CID 107049899
[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine
CID 107066634
N-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107052932
N-ethyl-2-(1-methyltriazol-4-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 107064481
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050660
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine (CID 107049210) is N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine is CCNC(Cc1cn(C)nn1)C(C)CC.
What is the InChIKey of N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine?
The InChIKey is UNJJIXOLSLLRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-9(3)11(12-6-2)7-10-8-15(4)14-13-10/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine?
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine is sourced from PubChem (CID 107049210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).