2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine

C18H31N3 — CID 61429525

IUPAC2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(C(C)(C)C)CC2)cc1C
InChIInChI=1S/C18H31N3/c1-14-6-7-16(12-15(14)2)17(13-19)20-8-10-21(11-9-20)18(3,4)5/h6-7,12,17H,8-11,13,19H2,1-5H3
InChIKeyIFHJNIJROQRMBN-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.72
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine

2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 61429525) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID61429525
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(C(C)(C)C)CC2)cc1C
InChIInChI=1S/C18H31N3/c1-14-6-7-16(12-15(14)2)17(13-19)20-8-10-21(11-9-20)18(3,4)5/h6-7,12,17H,8-11,13,19H2,1-5H3
InChIKeyIFHJNIJROQRMBN-UHFFFAOYSA-N
XLogP2.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine (CID 61429525) is 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(C(CN)N2CCN(C(C)(C)C)CC2)cc1C.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is IFHJNIJROQRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-6-7-16(12-15(14)2)17(13-19)20-8-10-21(11-9-20)18(3,4)5/h6-7,12,17H,8-11,13,19H2,1-5H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine?
2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 61429525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).