2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine

C18H29N3 — CID 79971755

IUPAC2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2ccccc2C2CC2)CC1(C)C
InChIInChI=1S/C18H29N3/c1-18(2)13-21(11-10-20(18)3)17(12-19)16-7-5-4-6-15(16)14-8-9-14/h4-7,14,17H,8-13,19H2,1-3H3
InChIKeyRYLIKQJRLDDSAD-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine

2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (PubChem CID 79971755) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
PubChem CID79971755
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
SMILESCN1CCN(C(CN)c2ccccc2C2CC2)CC1(C)C
InChIInChI=1S/C18H29N3/c1-18(2)13-21(11-10-20(18)3)17(12-19)16-7-5-4-6-15(16)14-8-9-14/h4-7,14,17H,8-13,19H2,1-3H3
InChIKeyRYLIKQJRLDDSAD-UHFFFAOYSA-N
XLogP2.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (CID 79971755) is 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine is CN1CCN(C(CN)c2ccccc2C2CC2)CC1(C)C.
What is the InChIKey of 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is RYLIKQJRLDDSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2)13-21(11-10-20(18)3)17(12-19)16-7-5-4-6-15(16)14-8-9-14/h4-7,14,17H,8-13,19H2,1-3H3.
What are the key properties of 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine?
2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 79971755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).