3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine

C11H22N4O — CID 103033575

IUPAC3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
SMILESCOC(C)(C)CCNCCCn1ccnn1
InChIInChI=1S/C11H22N4O/c1-11(2,16-3)5-7-12-6-4-9-15-10-8-13-14-15/h8,10,12H,4-7,9H2,1-3H3
InChIKeyBYWQKADSWSIBKD-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.07
Rot. Bonds8

About 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine

3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine (PubChem CID 103033575) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
PubChem CID103033575
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
SMILESCOC(C)(C)CCNCCCn1ccnn1
InChIInChI=1S/C11H22N4O/c1-11(2,16-3)5-7-12-6-4-9-15-10-8-13-14-15/h8,10,12H,4-7,9H2,1-3H3
InChIKeyBYWQKADSWSIBKD-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine
CID 103088367
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
CID 114385172
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
N'-hydroxy-2,2-dimethyl-6-[2-(triazol-1-yl)ethylamino]hexanimidamide
CID 106711569
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
CID 107442688
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(triazol-1-yl)propan-1-amine
CID 103172723
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
2-methyl-2-[3-(triazol-1-yl)propylcarbamoylamino]propanoic acid
CID 113413133
(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 99615717

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine (CID 103033575) is 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine is COC(C)(C)CCNCCCn1ccnn1.
What is the InChIKey of 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine?
The InChIKey is BYWQKADSWSIBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-11(2,16-3)5-7-12-6-4-9-15-10-8-13-14-15/h8,10,12H,4-7,9H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine?
3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 103033575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).