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

C11H22N4O — CID 61003314

IUPAC4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1nncn1C
InChIInChI=1S/C11H22N4O/c1-9(6-11(2,3)16-5)12-7-10-14-13-8-15(10)4/h8-9,12H,6-7H2,1-5H3
InChIKeySRIFXHQKFCEIHL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.11
Rot. Bonds6

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

4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine (PubChem CID 61003314) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
PubChem CID61003314
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1nncn1C
InChIInChI=1S/C11H22N4O/c1-9(6-11(2,3)16-5)12-7-10-14-13-8-15(10)4/h8-9,12H,6-7H2,1-5H3
InChIKeySRIFXHQKFCEIHL-UHFFFAOYSA-N
XLogP1.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine (CID 61003314) is 4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine is COC(C)(C)CC(C)NCc1nncn1C.
What is the InChIKey of 4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
The InChIKey is SRIFXHQKFCEIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(6-11(2,3)16-5)12-7-10-14-13-8-15(10)4/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine?
4-methoxy-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 1.11, 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-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 61003314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).