2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine

C17H24N4 — CID 66134503

IUPAC2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
SMILESCCn1cncc1C(CN)N1CCCc2ccccc2C1
InChIInChI=1S/C17H24N4/c1-2-20-13-19-11-17(20)16(10-18)21-9-5-8-14-6-3-4-7-15(14)12-21/h3-4,6-7,11,13,16H,2,5,8-10,12,18H2,1H3
InChIKeyLMOAPQVPBQFNLM-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.35
Rot. Bonds4

About 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine

2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (PubChem CID 66134503) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
PubChem CID66134503
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
SMILESCCn1cncc1C(CN)N1CCCc2ccccc2C1
InChIInChI=1S/C17H24N4/c1-2-20-13-19-11-17(20)16(10-18)21-9-5-8-14-6-3-4-7-15(14)12-21/h3-4,6-7,11,13,16H,2,5,8-10,12,18H2,1H3
InChIKeyLMOAPQVPBQFNLM-UHFFFAOYSA-N
XLogP2.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine?
The IUPAC name of 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine (CID 66134503) is 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine?
The canonical SMILES for 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine is CCn1cncc1C(CN)N1CCCc2ccccc2C1.
What is the InChIKey of 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine?
The InChIKey is LMOAPQVPBQFNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-20-13-19-11-17(20)16(10-18)21-9-5-8-14-6-3-4-7-15(14)12-21/h3-4,6-7,11,13,16H,2,5,8-10,12,18H2,1H3.
What are the key properties of 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine?
2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine is sourced from PubChem (CID 66134503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).