2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine

C15H33N3O2 — CID 66181007

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCCC(C)N1CCN(C(C)(CN)CC(OC)OC)CC1
InChIInChI=1S/C15H33N3O2/c1-6-13(2)17-7-9-18(10-8-17)15(3,12-16)11-14(19-4)20-5/h13-14H,6-12,16H2,1-5H3
InChIKeyNKSWIYHMUYJDJZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.13
Rot. Bonds8

About 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine

2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (PubChem CID 66181007) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
PubChem CID66181007
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCCC(C)N1CCN(C(C)(CN)CC(OC)OC)CC1
InChIInChI=1S/C15H33N3O2/c1-6-13(2)17-7-9-18(10-8-17)15(3,12-16)11-14(19-4)20-5/h13-14H,6-12,16H2,1-5H3
InChIKeyNKSWIYHMUYJDJZ-UHFFFAOYSA-N
XLogP1.13
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-butan-2-ylpiperazin-1-yl)-2-methylpentan-1-amine
CID 62774211
2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535281
2-(3,3-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66181206
1-butan-2-yl-4-(2-methylbutan-2-yl)piperazine
CID 70907870
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179221
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
2,4-dimethyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 24705230
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179040
2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
3-methoxy-2-methyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494738
2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66178255

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (CID 66181007) is 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is CCC(C)N1CCN(C(C)(CN)CC(OC)OC)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The InChIKey is NKSWIYHMUYJDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-6-13(2)17-7-9-18(10-8-17)15(3,12-16)11-14(19-4)20-5/h13-14H,6-12,16H2,1-5H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is sourced from PubChem (CID 66181007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).