3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine

C10H20N4O — CID 103033574

IUPAC3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine
SMILESCOC(C)(C)CCNCCn1ccnn1
InChIInChI=1S/C10H20N4O/c1-10(2,15-3)4-5-11-6-8-14-9-7-12-13-14/h7,9,11H,4-6,8H2,1-3H3
InChIKeyABIAJBKDUKMBJJ-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.68
Rot. Bonds7

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

3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine (PubChem CID 103033574) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine
PubChem CID103033574
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine
SMILESCOC(C)(C)CCNCCn1ccnn1
InChIInChI=1S/C10H20N4O/c1-10(2,15-3)4-5-11-6-8-14-9-7-12-13-14/h7,9,11H,4-6,8H2,1-3H3
InChIKeyABIAJBKDUKMBJJ-UHFFFAOYSA-N
XLogP0.68
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.68
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

(2R,3R)-3-methoxy-1-(triazol-1-yl)pentan-2-amine
CID 135132890
3-methoxy-N,3-dimethyl-2-(triazol-2-ylmethyl)butan-1-amine
CID 156222406
4-pent-3-ynoxy-N-[2-(triazol-1-yl)ethyl]butan-1-amine
CID 169964103
3-pent-3-ynoxy-N-[2-(triazol-1-yl)ethyl]propan-1-amine
CID 169964109
N-[3-[3-(triazol-1-yl)propoxy]propyl]pent-3-yn-1-amine
CID 169964138
N-(3-pent-3-ynoxypropyl)-3-(triazol-1-yl)propan-1-amine
CID 169964139
3-hex-4-ynoxy-N-[2-(triazol-1-yl)ethyl]propan-1-amine
CID 169964140
6-methoxy-N-[4-(triazol-1-yl)butyl]hexan-1-amine
CID 177359452
1-(3-methoxy-3-methylbutyl)-1H-1,2,3-triazol-4-amine
CID 103019240
3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 103033575
Tert-butyl 3-[2-(triazol-1-yl)ethylamino]propanoate
CID 103263509
3-(2-methoxyethoxy)-N-[2-(triazol-1-yl)ethyl]propan-1-amine
CID 103409649

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine (CID 103033574) is 3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine is COC(C)(C)CCNCCn1ccnn1.
What is the InChIKey of 3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine?
The InChIKey is ABIAJBKDUKMBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-10(2,15-3)4-5-11-6-8-14-9-7-12-13-14/h7,9,11H,4-6,8H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine?
3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.68, 7 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-[2-(triazol-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 103033574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).