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

C11H22N4O — CID 115709297

IUPAC1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
SMILESCCCCC(COC)NCc1nncn1C
InChIInChI=1S/C11H22N4O/c1-4-5-6-10(8-16-3)12-7-11-14-13-9-15(11)2/h9-10,12H,4-8H2,1-3H3
InChIKeyOEDLGMIYUAMYQR-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.11
Rot. Bonds8

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

1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine (PubChem CID 115709297) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
PubChem CID115709297
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
SMILESCCCCC(COC)NCc1nncn1C
InChIInChI=1S/C11H22N4O/c1-4-5-6-10(8-16-3)12-7-11-14-13-9-15(11)2/h9-10,12H,4-8H2,1-3H3
InChIKeyOEDLGMIYUAMYQR-UHFFFAOYSA-N
XLogP1.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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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Related Compounds

1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
tert-butyl N-[5-methoxy-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pentyl]carbamate
CID 103389364
methyl 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]hexanoate
CID 103248619
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-methoxybutan-2-amine
CID 115889962
ethyl 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]butanoate
CID 64669570
1-(3,4-dichlorophenyl)-3-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 122134020
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509
1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine
CID 115639638
2,2-dimethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63697959
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methoxyhexan-2-amine
CID 115742119
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
CID 112669037

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine?
The IUPAC name of 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine (CID 115709297) is 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine?
The canonical SMILES for 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine is CCCCC(COC)NCc1nncn1C.
What is the InChIKey of 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine?
The InChIKey is OEDLGMIYUAMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-4-5-6-10(8-16-3)12-7-11-14-13-9-15(11)2/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine?
1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 115709297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).