trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine

C20H24N2 — CID 15474043

IUPACtrans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C20H24N2/c21-19-11-5-6-12-20(19)22-13-15-7-1-3-9-17(15)18-10-4-2-8-16(18)14-22/h1-4,7-10,19-20H,5-6,11-14,21H2/t19-,20-/m1/s1
InChIKeyMVGUMPYYPVQVAN-WOJBJXKFSA-N
MW292.43 g/mol
LogP3.94
Rot. Bonds1

About trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine

trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine (PubChem CID 15474043) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine
PubChem CID15474043
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Nametrans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1N1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C20H24N2/c21-19-11-5-6-12-20(19)22-13-15-7-1-3-9-17(15)18-10-4-2-8-16(18)14-22/h1-4,7-10,19-20H,5-6,11-14,21H2/t19-,20-/m1/s1
InChIKeyMVGUMPYYPVQVAN-WOJBJXKFSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine (CID 15474043) is trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1N1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine?
The InChIKey is MVGUMPYYPVQVAN-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H24N2/c21-19-11-5-6-12-20(19)22-13-15-7-1-3-9-17(15)18-10-4-2-8-16(18)14-22/h1-4,7-10,19-20H,5-6,11-14,21H2/t19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine?
trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 15474043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).