2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

C16H30N4 — CID 114592602

IUPAC2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)C(C)N(C(CN)c2cncn2C(C)C)C1
InChIInChI=1S/C16H30N4/c1-11(2)20-10-18-8-16(20)15(7-17)19-9-12(3)6-13(4)14(19)5/h8,10-15H,6-7,9,17H2,1-5H3
InChIKeyZKZWXZMKNSSADN-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.83
Rot. Bonds4

About 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (PubChem CID 114592602) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
PubChem CID114592602
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)C(C)N(C(CN)c2cncn2C(C)C)C1
InChIInChI=1S/C16H30N4/c1-11(2)20-10-18-8-16(20)15(7-17)19-9-12(3)6-13(4)14(19)5/h8,10-15H,6-7,9,17H2,1-5H3
InChIKeyZKZWXZMKNSSADN-UHFFFAOYSA-N
XLogP2.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (CID 114592602) is 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is CC1CC(C)C(C)N(C(CN)c2cncn2C(C)C)C1.
What is the InChIKey of 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The InChIKey is ZKZWXZMKNSSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-11(2)20-10-18-8-16(20)15(7-17)19-9-12(3)6-13(4)14(19)5/h8,10-15H,6-7,9,17H2,1-5H3.
What are the key properties of 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine has a molecular weight of 278.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114592602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).