4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine

C10H18N4O — CID 115758120

IUPAC4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
SMILESCn1cc(CNC2(C)CCOCC2)nn1
InChIInChI=1S/C10H18N4O/c1-10(3-5-15-6-4-10)11-7-9-8-14(2)13-12-9/h8,11H,3-7H2,1-2H3
InChIKeyDATNALDCPHZDSH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.47
Rot. Bonds3

About 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine

4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine (PubChem CID 115758120) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
PubChem CID115758120
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
SMILESCn1cc(CNC2(C)CCOCC2)nn1
InChIInChI=1S/C10H18N4O/c1-10(3-5-15-6-4-10)11-7-9-8-14(2)13-12-9/h8,11H,3-7H2,1-2H3
InChIKeyDATNALDCPHZDSH-UHFFFAOYSA-N
XLogP0.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
CID 107045763
1-[(1-methyltriazol-4-yl)methylamino]cyclopropane-1-carboxylic acid
CID 107044966
3-[4-[[(3-methyloxan-3-yl)amino]methyl]triazol-1-yl]propan-1-ol
CID 114113524
4-[(1-methyltriazol-4-yl)methyl]oxane-4-carbonitrile
CID 107057305
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 113491027
N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 103398984
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
4-[(1-methyltriazol-4-yl)methyl]morpholine
CID 130163626
4-methyl-N-(1,3-thiazol-4-ylmethyl)oxan-4-amine
CID 115758149
2,2-dimethyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115563730
N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050468
1-(2-methyloxolan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050311

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine (CID 115758120) is 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine is Cn1cc(CNC2(C)CCOCC2)nn1.
What is the InChIKey of 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine?
The InChIKey is DATNALDCPHZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(3-5-15-6-4-10)11-7-9-8-14(2)13-12-9/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine?
4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine has a molecular weight of 210.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115758120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).