1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine

C13H27N3 — CID 63177588

IUPAC1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCN(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C13H27N3/c1-12(2,3)11(14)15-7-9-16(10-8-15)13(4,5)6/h14H,7-10H2,1-6H3/b14-11-
InChIKeyBXRJIBHTIVRHLG-KAMYIIQDSA-N
MW225.38 g/mol
LogP2.43
Rot. Bonds

About 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine

1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine (PubChem CID 63177588) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine
PubChem CID63177588
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCN(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C13H27N3/c1-12(2,3)11(14)15-7-9-16(10-8-15)13(4,5)6/h14H,7-10H2,1-6H3/b14-11-
InChIKeyBXRJIBHTIVRHLG-KAMYIIQDSA-N
XLogP2.43
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine (CID 63177588) is 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine is [H]/N=C(\N1CCN(C(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine?
The InChIKey is BXRJIBHTIVRHLG-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(2,3)11(14)15-7-9-16(10-8-15)13(4,5)6/h14H,7-10H2,1-6H3/b14-11-.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine?
1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine has a molecular weight of 225.38 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 63177588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).