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

C12H24N4O — CID 43702840

IUPAC4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1nncn1C
InChIInChI=1S/C12H24N4O/c1-9(7-12(3,4)17-6)14-10(2)11-15-13-8-16(11)5/h8-10,14H,7H2,1-6H3
InChIKeyOMNLOLRRUBCCHT-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.67
Rot. Bonds6

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

4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine (PubChem CID 43702840) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
PubChem CID43702840
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1nncn1C
InChIInChI=1S/C12H24N4O/c1-9(7-12(3,4)17-6)14-10(2)11-15-13-8-16(11)5/h8-10,14H,7H2,1-6H3
InChIKeyOMNLOLRRUBCCHT-UHFFFAOYSA-N
XLogP1.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 50961413
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxan-4-amine
CID 125440078
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62119200
N-[3-(2,2-difluoroethoxy)propyl]-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 132314259
(1-ethylpropyl)[1-(4-methyl-4H-1,2,4-triazol-3-yl)ethyl]amine
CID 43703221
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}cyclopentanamine
CID 50981187
1-[4-(3-Methoxypropyl)-1,2,4-triazol-3-yl]ethanamine
CID 45791118
1-(4-Ethyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 24702689
1-(4-Ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-amine
CID 24711520
3-Methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 24711543
(1R)-1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethanamine
CID 28064127

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine (CID 43702840) is 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine is COC(C)(C)CC(C)NC(C)c1nncn1C.
What is the InChIKey of 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
The InChIKey is OMNLOLRRUBCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-9(7-12(3,4)17-6)14-10(2)11-15-13-8-16(11)5/h8-10,14H,7H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 43702840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).